Geometry & MOs

Info

ID:	38843
PubChem CID:	8138034
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-5.87
Dipole, Da:	1.15
IP(EA), eV:	-9.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)/C=C/C(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations