Geometry & MOs

Info

ID:	235712
PubChem CID:	92710472
Reduced:	SO4N5C24H33 (1)
Stoich.:	AB4C5D24E33 (1)
Weight, g/mol:	462.230077
ΔH_f, kcal/mol:	-141.69
Dipole, Da:	5.78
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(3-piperidin-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CCNC(=O)[C@@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCC4)C

DOS

IR

Vibrations