Geometry & MOs

Info

ID:	67251
PubChem CID:	46506141
Reduced:	BrSN2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	657.10637
ΔH_f, kcal/mol:	-160.26
Dipole, Da:	9.62
IP(EA), eV:	-8.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations