Geometry & MOs

Info

ID:	184714
PubChem CID:	77195930
Reduced:	NSO5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	476.176979
ΔH_f, kcal/mol:	-183.18
Dipole, Da:	5.95
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-N-phenacyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)O)C

DOS

IR

Vibrations