Geometry & MOs

Info

ID:	59637
PubChem CID:	24891123
Reduced:	SO3N4C14H14 (1)
Stoich.:	AB3C4D14E14 (1)
Weight, g/mol:	304.06147
ΔH_f, kcal/mol:	-41.67
Dipole, Da:	9.98
IP(EA), eV:	-9.02(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(3-chlorophenyl)pyridine-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C)C2=CC=C(O2)C(=O)NCCC#N

DOS

IR

Vibrations