Geometry & MOs

Info

ID:	173434
PubChem CID:	75637464
Reduced:	ClFN5H11C16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	578.144633
ΔH_f, kcal/mol:	101.08
Dipole, Da:	7.54
IP(EA), eV:	-10.04(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-2-methyl-6-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(N2C(=NN=N2)N=C1C3=CC=C(C=C3)F)C4=CC=CC=C4Cl

DOS

IR

Vibrations