Geometry & MOs

Info

ID:	38747
PubChem CID:	8137862
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	3.77
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations