Geometry & MOs

Info

ID:	375787
PubChem CID:	134221777
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	630.029014
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	6.14
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,3,3-trifluoro-1-hydroxypropyl)amino]ethyl]-2-(trifluoromethyl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)NC=O)SC

DOS

IR

Vibrations