Geometry & MOs

Info

ID:	67244
PubChem CID:	46506126
Reduced:	BrSN3O4C25H32 (1)
Stoich.:	ABC3D4E25F32 (1)
Weight, g/mol:	498.00157
ΔH_f, kcal/mol:	-145.06
Dipole, Da:	13.02
IP(EA), eV:	-7.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(3-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=C(C=C(C=C3)N(CC)CC)C)Br

DOS

IR

Vibrations