Geometry & MOs

Info

ID:	72537
PubChem CID:	48416281
Reduced:	N2O5C22H32 (1)
Stoich.:	A2B5C22D32 (1)
Weight, g/mol:	416.158351
ΔH_f, kcal/mol:	-229.52
Dipole, Da:	3.69
IP(EA), eV:	-8.87(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2CC(=O)N(C2)CC(C)C)C(=O)OC

DOS

IR

Vibrations