Geometry & MOs

Info

ID:	67207
PubChem CID:	46506064
Reduced:	BrSN2O4C18H25 (1)
Stoich.:	ABC2D4E18F25 (1)
Weight, g/mol:	526.03287
ΔH_f, kcal/mol:	-169.29
Dipole, Da:	6.91
IP(EA), eV:	-8.95(-0.77)
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-[2-(4-chlorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)CC)Br

DOS

IR

Vibrations