Geometry & MOs

Info

ID:	376190
PubChem CID:	134222195
Reduced:	BrClOSN2F6H20C23 (1)
Stoich.:	ABCDE2F6G20H23 (1)
Weight, g/mol:	338.104913
ΔH_f, kcal/mol:	-326.43
Dipole, Da:	4.8
IP(EA), eV:	-9.16(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[(E)-4-(3,4-dimethylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=S)NCC(F)(F)F)Br)C(F)(F)F

DOS

IR

Vibrations