Geometry & MOs

Info

ID:	245663
PubChem CID:	99456570
Reduced:	SN4O4C26H32 (1)
Stoich.:	AB4C4D26E32 (1)
Weight, g/mol:	422.091198
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	5.39
IP(EA), eV:	-8.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-thiophen-2-ylbutanoylamino)-3-(trifluoromethyl)phenyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCC(C)C)OC)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

DOS

IR

Vibrations