Geometry & MOs

Info

ID:	14035
PubChem CID:	402020
Reduced:	ISO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	522.02226
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	3.38
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate

Drug info:

PubChemData

Smile

CCOC=NNC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

DOS

IR

Vibrations