Geometry & MOs

Info

ID:	67266
PubChem CID:	46506164
Reduced:	BrSN2O4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	576.14059
ΔH_f, kcal/mol:	-128.19
Dipole, Da:	1.86
IP(EA), eV:	-8.8(-1.08)
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-phenylpiperazin-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations