Geometry & MOs

Info

ID:

445366

PubChem CID:

135266509

Reduced:

NC12H15 (2)

Stoich.:

AB12C15 (2)

Weight, g/mol:

847.346894

ΔHf, kcal/mol:

30.08

Dipole, Da:

2.92

IP(EA), eV:

 -7.65(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[3-[2-(4-chlorophenyl)-1,5-dimethyl-4-(2-piperidin-1-ylethyl)pyrrol-3-yl]phenyl]piperazin-1-yl]-N-[3-nitro-4-(phenylsulfanylamino)cyclohex-2-en-1-yl]sulfanylaniline

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=CC(=C1)C2=C(N(C(=C2C)C)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations