Geometry & MOs

Info

ID:	43698
PubChem CID:	10321662
Reduced:	N5O6C22H23 (1)
Stoich.:	A5B6C22D23 (1)
Weight, g/mol:	453.176307
ΔH_f, kcal/mol:	-109.6
Dipole, Da:	3.83
IP(EA), eV:	-9.11(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-3-[4-[2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C/C(=N/NC(=O)C2=CC=CC=C2)/C(=O)C3=C1N4C[C@H]5[C@@H]([C@@]4([C@@H]3COC(=O)N)OC)N5

DOS

IR

Vibrations