Geometry & MOs

Info

ID:	155688
PubChem CID:	56366909
Reduced:	SN4O5C18H24 (1)
Stoich.:	AB4C5D18E24 (1)
Weight, g/mol:	415.114376
ΔH_f, kcal/mol:	-132.95
Dipole, Da:	4.1
IP(EA), eV:	-9.31(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-3-[3-(trifluoromethyl)phenoxy]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations