Geometry & MOs

Info

ID:

164118

PubChem CID:

74382038

Reduced:

SN3O3F4C24H25 (1)

Stoich.:

AB3C3D4E24F25 (1)

Weight, g/mol:

512.150524

ΔHf, kcal/mol:

-234.04

Dipole, Da:

4.14

IP(EA), eV:

 -9.07(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-[methyl(propyl)amino]-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)CC1=C(C=CC(=N1)C(F)(F)F)C=CC(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations