Geometry & MOs

Info

ID:	386737
PubChem CID:	134982734
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	634.246121
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	6.55
IP(EA), eV:	-9.26(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1R,2R,5S,7S)-3,3-dimethyl-4,9,11-trioxo-10-phenyl-8,10,12-triazatetracyclo[5.5.2.02,5.08,12]tetradec-13-en-13-yl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate

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@@H]1[C@H](NC1=O)/C=C/C(=C/[C@@H](C)[C@@H](CC2=CC=CC=C2)OC)/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

C[C@@H]1[C@H](NC1=O)/C=C/C(=C/[C@@H](C)[C@@H](CC2=CC=CC=C2)OC)/C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):