Geometry & MOs

Info

ID:	178562
PubChem CID:	76349215
Reduced:	SN2O3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	1.85
IP(EA), eV:	-8.86(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)propyl 1-phenylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)OC)NC(=O)C=CC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations