Geometry & MOs

Info

ID:	231295
PubChem CID:	87573415
Reduced:	N2O3C7H13 (2)
Stoich.:	A2B3C7D13 (2)
Weight, g/mol:	515.096047
ΔH_f, kcal/mol:	-267.15
Dipole, Da:	3.22
IP(EA), eV:	-9.45(-0.38)
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-propylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C(C[C@H](C(=O)OC(=O)CCC(=O)OC(=O)[C@@H](CCCN)N)N)CN

DOS

IR

Vibrations