Geometry & MOs

Info

ID:	138887
PubChem CID:	52440549
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	4.31
IP(EA), eV:	-8.59(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C(=O)NNC(=O)C2=CC=CS2)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations