Geometry & MOs

Info

ID:	62803
PubChem CID:	26736944
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	448.203193
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	3.24
IP(EA), eV:	-8.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3,4-dimethoxyphenyl)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)OC

DOS

IR

Vibrations