Geometry & MOs

Info

ID:	187693
PubChem CID:	77611122
Reduced:	N3O4C33H37 (1)
Stoich.:	A3B4C33D37 (1)
Weight, g/mol:	598.283158
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	4.79
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)N(C)C)C2C(CN(CC2C(=O)C3=CC=CC=C3)CC(=O)N(C)C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations