Geometry & MOs

Info

ID:	121224
PubChem CID:	50759262
Reduced:	ClN4O4H19C22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	452.125133
ΔH_f, kcal/mol:	-45.3
Dipole, Da:	5.47
IP(EA), eV:	-8.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2,4-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C(=NO3)C4=C(C=CC(=C4)OC)Cl

DOS

IR

Vibrations