Geometry & MOs

Info

ID:	72512
PubChem CID:	48416255
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	4.38
IP(EA), eV:	-8.73(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C(C)SC)C(=O)OC

DOS

IR

Vibrations