Geometry & MOs

Info

ID:	138053
PubChem CID:	52304161
Reduced:	N3O3C22H34 (1)
Stoich.:	A3B3C22D34 (1)
Weight, g/mol:	415.081362
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	3.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755411
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-5-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)[C@@H](C(C)C)[NH+]2CCC3=CC=CC=C3C2

DOS

IR

Vibrations