Geometry & MOs

Info

ID:

184851

PubChem CID:

77220316

Reduced:

ClO2F4N4H21C24 (1)

Stoich.:

AB2C4D4E21F24 (1)

Weight, g/mol:

832.249546

ΔHf, kcal/mol:

-174.58

Dipole, Da:

4.12

IP(EA), eV:

 -9.25(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[[2-(4-chlorophenyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)phenyl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=CC(=O)NNC(=O)C(CCCCl)C3=CC(=C(C(=C3)F)F)F)F

DOS

IR

Vibrations