Geometry & MOs

Info

ID:	38751
PubChem CID:	8137868
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	5.83
IP(EA), eV:	-8.84(-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-ethylpropanamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations