Geometry & MOs

Info

ID:	193189
PubChem CID:	78354724
Reduced:	ClSN3O4H15C16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	464.255419
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037089
Charge, e:	0

Chem-info

IUPAC name:

N-(6-aminohexyl)-2-(4-chlorophenoxy)-N-[1-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2C=C(C=CC2=[N+](C1=O)C)S(=O)(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations