Geometry & MOs

Info

ID:	300522
PubChem CID:	121360399
Reduced:	PN2O6C29H37 (1)
Stoich.:	AB2C6D29E37 (1)
Weight, g/mol:	635.333729
ΔH_f, kcal/mol:	-294.93
Dipole, Da:	3.95
IP(EA), eV:	-9.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(2R)-1-[[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-cyclopropylamino]-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-1-oxopropan-2-yl] carbonate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C(=C\[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)/C=C(\C)/C2=CC=C(C=C2)OP(=O)(O)O)/C3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C(=C\[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)/C=C(\C)/C2=CC=C(C=C2)OP(=O)(O)O)/C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):