Geometry & MOs

Info

ID:	47005
PubChem CID:	10528901
Reduced:	NO6H27C29 (1)
Stoich.:	AB6C27D29 (1)
Weight, g/mol:	485.195071
ΔH_f, kcal/mol:	-180.25
Dipole, Da:	9.36
IP(EA), eV:	-9.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(3-cyanobenzoyl)amino]-3-[(4-propan-2-ylbenzoyl)amino]phenoxy]acetate

Drug info:

PubChemData

Smile

C=C([C@@H]1CN([C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2)C3=CC=CC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations