Geometry & MOs

Info

ID:	14037
PubChem CID:	402045
Reduced:	ISO2N4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	554.02734
ΔH_f, kcal/mol:	61.65
Dipole, Da:	2.24
IP(EA), eV:	-9.21(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN=CC4=CC=CC=C4

DOS

IR

Vibrations