Geometry & MOs

Info

ID:	182351
PubChem CID:	76879019
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	399.101955
ΔH_f, kcal/mol:	-167.35
Dipole, Da:	7.07
IP(EA), eV:	-9.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfonyl-N-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2CCC3C(C2)C(=O)NCN3

DOS

IR

Vibrations