Geometry & MOs

Info

ID:	244740
PubChem CID:	99381301
Reduced:	OSN2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	457.157246
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	3.66
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methyl-4-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCC(=O)NC2=CC=CC=C2SC3=NC=CN3C

DOS

IR

Vibrations