Geometry & MOs

Info

ID:	38849
PubChem CID:	8138041
Reduced:	SO2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	7.56
Dipole, Da:	2.76
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-ethyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)SCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations