Geometry & MOs

Info

ID:	39248
PubChem CID:	8139976
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-40.84
Dipole, Da:	3.26
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)N(C)C)C

DOS

IR

Vibrations