Geometry & MOs

Info

ID:	188462
PubChem CID:	77721142
Reduced:	SCl2O3N4H34C36 (1)
Stoich.:	AB2C3D4E34F36 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	1.58
Dipole, Da:	4.61
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1(C=CC(C=C1)C2=CC=CC=C2)C=CC3=NC(=CN3CC4=CC=C(C=C4)N5CC(=O)NS5(=O)=O)C6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations