Geometry & MOs

Info

ID:	131249
PubChem CID:	51181166
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	370.096283
ΔH_f, kcal/mol:	-36.76
Dipole, Da:	5.39
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C/C(=O)NC(C)C2=CC=CC=C2OC

DOS

IR

Vibrations