Geometry & MOs

Info

ID:	376135
PubChem CID:	134222138
Reduced:	ClO4N6H23C26 (1)
Stoich.:	AB4C6D23E26 (1)
Weight, g/mol:	507.044968
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	7.05
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-fluorophenyl]-3-(1-imino-1-oxothietan-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C)C2=CC(=C(C(=C2)N3C=CC(=NC3=O)N)Cl)N4C=CC(=NC4=O)N)C(=O)O

DOS

IR

Vibrations