Geometry & MOs

Info

ID:	148014
PubChem CID:	53787676
Reduced:	ClO2N3S3H18C24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	191.97204
ΔH_f, kcal/mol:	39.33
Dipole, Da:	9.06
IP(EA), eV:	-8.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(chloromethyl)-4,4,4-trifluorobut-1-ene

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=NC5=C(S4)C=CC(=C5)Cl

DOS

IR

Vibrations