Geometry & MOs

Info

ID:	54355
PubChem CID:	17103025
Reduced:	SN3O3C27H27 (1)
Stoich.:	AB3C3D27E27 (1)
Weight, g/mol:	460.212885
ΔH_f, kcal/mol:	-37.03
Dipole, Da:	5.44
IP(EA), eV:	-8.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-3,4,5-triethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

DOS

IR

Vibrations