Geometry & MOs

Info

ID:	381346
PubChem CID:	134972053
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	7.61
Dipole, Da:	4.43
IP(EA), eV:	-7.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (2R,3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=C(N(C3=CC=CC=C32)C)C

DOS

IR

Vibrations