Geometry & MOs

Info

ID:	39245
PubChem CID:	8139972
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	6.43
IP(EA), eV:	-8.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCC3=CC=CC=C3CN(C)C)C

DOS

IR

Vibrations