Geometry & MOs

Info

ID:	139604
PubChem CID:	52569878
Reduced:	ClFOSN3H11C16 (1)
Stoich.:	ABCDE3F11G16 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	3.17
IP(EA), eV:	-8.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetylphenyl)-4-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CNC2=S)NC(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations