Geometry & MOs

Info

ID:	187694
PubChem CID:	77611686
Reduced:	N2O4H38C39 (1)
Stoich.:	A2B4C38D39 (1)
Weight, g/mol:	564.262422
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	2.94
IP(EA), eV:	-8.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-benzoylanilino)-3-[4-[2-(N-butanoylanilino)ethoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(CCOC2=CC=C(C=C2)CC(C(=O)OC)NC3=CC=CC=C3C(=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations