Geometry & MOs

Info

ID:	165969
PubChem CID:	74620302
Reduced:	N2O2C22H27 (1)
Stoich.:	A2B2C22D27 (1)
Weight, g/mol:	472.166808
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	1.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764072
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)ethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C1CC1)[NH+](CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C(=O)C

DOS

IR

Vibrations