Geometry & MOs

Info

ID:	376199
PubChem CID:	134222206
Reduced:	BrCl2F3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	443.048911
ΔH_f, kcal/mol:	-141.27
Dipole, Da:	3.97
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]methanethioamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)C)Cl)C(F)(F)F)Br

DOS

IR

Vibrations