Geometry & MOs

Info

ID:	33408
PubChem CID:	7886303
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	371.110376
ΔH_f, kcal/mol:	-209.09
Dipole, Da:	7.64
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-fluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations