Geometry & MOs

Info

ID:	140838
PubChem CID:	52768148
Reduced:	SCl2N2O3C18H20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	302.184172
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	3.79
IP(EA), eV:	-9.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2S)-2-(methoxycarbonylamino)-4-methylpentanoyl]amino]pentanoate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NCCC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations