Geometry & MOs

Info

ID:	46143
PubChem CID:	10522448
Reduced:	ClNC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	359.205636
ΔH_f, kcal/mol:	62.01
Dipole, Da:	4.13
IP(EA), eV:	-9.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2C([C@@](N2C(C)C)(C#N)C3=CC=CC=C3)(Cl)Cl

DOS

IR

Vibrations