Geometry & MOs

Info

ID:	39223
PubChem CID:	8139942
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	401.096476
ΔH_f, kcal/mol:	-87.9
Dipole, Da:	5.57
IP(EA), eV:	-8.65(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2CN(C)C)OC

DOS

IR

Vibrations