Geometry & MOs

Info

ID:	167051
PubChem CID:	74773097
Reduced:	SO2N6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	437.117605
ΔH_f, kcal/mol:	74.76
Dipole, Da:	6.26
IP(EA), eV:	-9.65(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C(=N1)C=CS2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

DOS

IR

Vibrations