Geometry & MOs

Info

ID:	268497
PubChem CID:	103599655
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	4.68
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dimethylbutylsulfonyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CCN1CCCC1=O)C(=O)C2=C3CCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

DOS

IR

Vibrations