Geometry & MOs

Info

ID:	72523
PubChem CID:	48416267
Reduced:	NO5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-180.91
Dipole, Da:	4.64
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NCC(CC2=CC=C(C=C2)OCC)C(=O)OC

DOS

IR

Vibrations