Geometry & MOs

Info

ID:	138886
PubChem CID:	52440188
Reduced:	ClO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.187671
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+](C)C

DOS

IR

Vibrations