Geometry & MOs

Info

ID:	268091
PubChem CID:	103597783
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	7.33
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonamido)ethyl]-3-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC(=C(C=C1)NCCCOCC2=CC=CO2)[N+](=O)[O-]

DOS

IR

Vibrations