Geometry & MOs

Info

ID:	147366
PubChem CID:	53787022
Reduced:	SN2O2C8H16 (1)
Stoich.:	AB2C2D8E16 (1)
Weight, g/mol:	516.248036
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	2.71
IP(EA), eV:	-8.6(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[[(1-ethylsulfanyl-4-methylpentan-2-yl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(COC=O)S

DOS

IR

Vibrations