Geometry & MOs

Info

ID:	140815
PubChem CID:	52766338
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	2.71
Dipole, Da:	5.42
IP(EA), eV:	-8.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methylbutanoyl)piperidin-4-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations