Geometry & MOs

Info

ID:	177980
PubChem CID:	76259779
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	3.13
IP(EA), eV:	-8.16(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC1CC(NN1)C(=O)NCC2=CN=C(C=C2)N3CCCCCC3

DOS

IR

Vibrations