Geometry & MOs

Info

ID:	79521
PubChem CID:	49816675
Reduced:	ClO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	411.098584
ΔH_f, kcal/mol:	-47.43
Dipole, Da:	2.64
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[2-(3-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C2=CC(=CC=C2)Cl)CC(=O)NC(C)CCC3=CC=CC=C3

DOS

IR

Vibrations