Geometry & MOs

Info

ID:	74279
PubChem CID:	48421670
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	1.77
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCOC1=CC=C(C=C1)Cl)OCC2CC2

DOS

IR

Vibrations