Geometry & MOs

Info

ID:	231472
PubChem CID:	87573819
Reduced:	CMoON2H4 (1)
Stoich.:	ABCD2E4 (1)
Weight, g/mol:	510.134874
ΔH_f, kcal/mol:	130.72
Dipole, Da:	7.3
IP(EA), eV:	-7.1(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C(=O)(N)N.[Mo]

DOS

IR

Vibrations