Geometry & MOs

Info

ID:	38186
PubChem CID:	8027920
Reduced:	Cl2S2N3O3H11C14 (1)
Stoich.:	A2B2C3D3E11F14 (1)
Weight, g/mol:	387.098584
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	3.83
IP(EA), eV:	-9.7(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)CC#N)N2C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations