Geometry & MOs

Info

ID:	298519
PubChem CID:	117650548
Reduced:	N3O7C29H51 (1)
Stoich.:	A3B7C29D51 (1)
Weight, g/mol:	610.394165
ΔH_f, kcal/mol:	-308.42
Dipole, Da:	4.04
IP(EA), eV:	-9.25(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]-3-methylbutyl] N-[6-[(2-aminoacetyl)amino]hexyl]carbamate

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

CC(C)[C@H](COC(=O)NCCCCCCN)NC(=O)OC1CC[C@]2(CO2)C(C1OC)C3([C@H](O3)CC=C(C)C)C

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

CC(C)[C@H](COC(=O)NCCCCCCN)NC(=O)OC1CC[C@]2(CO2)C(C1OC)C3([C@H](O3)CC=C(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):