Geometry & MOs

Info

ID:	76341
PubChem CID:	48424800
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-128.92
Dipole, Da:	4.3
IP(EA), eV:	-9.66(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[benzyl-[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCOC1)OCC2CC2

DOS

IR

Vibrations