Geometry & MOs

Info

ID:	38750
PubChem CID:	8137866
Reduced:	OSN7H19C20 (1)
Stoich.:	ABC7D19E20 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	57.44
Dipole, Da:	4.16
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N)C

DOS

IR

Vibrations