Geometry & MOs

Info

ID:	165866
PubChem CID:	74606882
Reduced:	O4N5C26H39 (1)
Stoich.:	A4B5C26D39 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-169.42
Dipole, Da:	5.68
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3-prop-2-enyl-N-(2-propoxyphenyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCCCN1C2C(N=C1CCC(=O)NC3=CC=CC=C3OCCC)N(C(=O)NC2=O)CCCC

DOS

IR

Vibrations