Geometry & MOs

Info

ID:	37792
PubChem CID:	8024462
Reduced:	NSO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	310.077851
ΔH_f, kcal/mol:	-140.7
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768007
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(cyanomethyl)-6-(2,4-difluoroanilino)pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[O-])SCC(=O)NCCC1=CC=C(C=C1)OC

DOS

IR

Vibrations