Geometry & MOs

Info

ID:	72359
PubChem CID:	48416084
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-159.64
Dipole, Da:	5.01
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=NN(C(=O)C=C2)C)C(=O)OC

DOS

IR

Vibrations