Geometry & MOs

Info

ID:	72509
PubChem CID:	48416252
Reduced:	NO6C23H29 (1)
Stoich.:	AB6C23D29 (1)
Weight, g/mol:	415.174336
ΔH_f, kcal/mol:	-219.63
Dipole, Da:	7.93
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[4-(methylamino)-3-nitrobenzoyl]amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations