Geometry & MOs

Info

ID:	194691
PubChem CID:	78576606
Reduced:	SN4O4C15H16 (1)
Stoich.:	AB4C4D15E16 (1)
Weight, g/mol:	384.100748
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	8.01
IP(EA), eV:	-8.62(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)ethyl 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)C2=CC(=CC=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations