Geometry & MOs

Info

ID:	175411
PubChem CID:	75900740
Reduced:	ClSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	465.232422
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	8.09
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-3-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)N(C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations