Geometry & MOs

Info

ID:	196198
PubChem CID:	78795699
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-81.41
Dipole, Da:	11.01
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2(CCCC2)C#N

DOS

IR

Vibrations