Geometry & MOs

Info

ID:	375805
PubChem CID:	134221795
Reduced:	NSO5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	614.0341
ΔH_f, kcal/mol:	-149.89
Dipole, Da:	4.55
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N-[2-[[2-(trifluoromethyl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]phenyl]methylamino]ethyl]propanamide

Drug info:

PubChemData

Smile

C/C=C(/CCCC1C(=O)NC(=O)S1)\C=C/C(=C)OCC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations