Geometry & MOs

Info

ID:	67988
PubChem CID:	46507553
Reduced:	SN2O5H18C22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	486.182254
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	5.46
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[5-methyl-2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations