Geometry & MOs

Info

ID:	192798
PubChem CID:	78313271
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	459.273321
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	5.22
IP(EA), eV:	-8.82(-3.11)
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-methylbutyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC4=NC(=O)C(=O)N=C4C=C3

DOS

IR

Vibrations