Geometry & MOs

Info

ID:	165925
PubChem CID:	74614918
Reduced:	ClNSO7C23H26 (1)
Stoich.:	ABCD7E23F26 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-236.34
Dipole, Da:	8.12
IP(EA), eV:	-8.82(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OCC

DOS

IR

Vibrations