Geometry & MOs

Info

ID:	85698
PubChem CID:	49878329
Reduced:	ClSN4O4H33C34 (1)
Stoich.:	ABC4D4E33F34 (1)
Weight, g/mol:	464.9994
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	4.21
IP(EA), eV:	-8.28(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-(3-nitrophenyl)-2,3-dihydroindole-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3C(=C2C4=CC=C(C=C4)Cl)C(=C(S3)C(=O)NCCC5=CC(=C(C=C5)OC)OC)N)C)C

DOS

IR

Vibrations