Geometry & MOs

Info

ID:	445321
PubChem CID:	135266142
Reduced:	ON2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	763.180223
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	3.95
IP(EA), eV:	-9.45(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2-methyl-4-[3-[4-[4-[[3-nitro-4-(phenylsulfanylamino)phenyl]sulfanylamino]phenyl]piperazin-1-yl]phenyl]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1NC(=O)CN1C

DOS

IR

Vibrations