Geometry & MOs

Info

ID:	131444
PubChem CID:	51206268
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	3.39
IP(EA), eV:	-9.24(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC(=C3)C(=O)NC

DOS

IR

Vibrations