Geometry & MOs

Info

ID:	192800
PubChem CID:	78313366
Reduced:	ClSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	461.252586
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	2.41
IP(EA), eV:	-9.24(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6,7-diethoxy-2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2C(=NC1=S)C3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations