Geometry & MOs

Info

ID:	38755
PubChem CID:	8137873
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	4.85
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations