Geometry & MOs

Info

ID:

445324

PubChem CID:

135266155

Reduced:

O2N3C31H33 (1)

Stoich.:

A2B3C31D33 (1)

Weight, g/mol:

839.24208

ΔHf, kcal/mol:

6.5

Dipole, Da:

5.45

IP(EA), eV:

 -8.45(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[3-[2-(3,4-difluorophenyl)-1,4,5-trimethylpyrrol-3-yl]phenyl]piperazin-1-yl]-N-[4-(phenylsulfanylamino)-3-(trifluoromethylsulfonyl)cyclohex-2-en-1-yl]sulfanylaniline

Drug info:

PubChemData

Smile

CCCNCC(C1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2)C(=C)NC3=CC4=C(C=C3)C=NC=C4

DOS

IR

Vibrations