Geometry & MOs

Info

ID:	66604
PubChem CID:	46504889
Reduced:	BrSN2O4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	601.08015
ΔH_f, kcal/mol:	-113.46
Dipole, Da:	9.26
IP(EA), eV:	-8.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations