Geometry & MOs

Info

ID:	67227
PubChem CID:	46506099
Reduced:	BrSN2O4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	496.04677
ΔH_f, kcal/mol:	-140.51
Dipole, Da:	7.16
IP(EA), eV:	-8.96(-0.83)
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-[(4-fluorophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CCS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)CC)Br)C

DOS

IR

Vibrations