Geometry & MOs

Info

ID:	342125
PubChem CID:	127264838
Reduced:	ClSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	5.31
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NCC2=NC=C(N2C)Cl

DOS

IR

Vibrations