Geometry & MOs

Info

ID:	72396
PubChem CID:	48416128
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	415.174336
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	5.95
IP(EA), eV:	-8.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-(methylamino)-5-nitrobenzoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CC3=C2N=CC=C3)C(=O)OC

DOS

IR

Vibrations