Geometry & MOs

Info

ID:	171741
PubChem CID:	75420834
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	308.048318
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	4.26
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dichlorophenyl)-pyridin-3-ylmethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C)C(CNS(=O)(=O)C1=CC2=C(COC2)C=C1)C3=CC=CC=C3

DOS

IR

Vibrations