Geometry & MOs

Info

ID:	54146
PubChem CID:	14720396
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	400.166808
ΔH_f, kcal/mol:	-104.8
Dipole, Da:	4.77
IP(EA), eV:	-9.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methylphenyl)sulfonylamino]-2-(2-methylpropoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations