Geometry & MOs

Info

ID:	155453
PubChem CID:	56365509
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	484.214427
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	3.44
IP(EA), eV:	-8.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CCN3C(=CSC3=O)C

DOS

IR

Vibrations