Geometry & MOs

Info

ID:	165961
PubChem CID:	74619677
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	4.45
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-3-ethyl-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C(C)NC(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations