Geometry & MOs

Info

ID:	376723
PubChem CID:	134222748
Reduced:	N2S2C13H26 (2)
Stoich.:	A2B2C13D26 (2)
Weight, g/mol:	500.102255
ΔH_f, kcal/mol:	-39.66
Dipole, Da:	3.19
IP(EA), eV:	-8.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C)(CC)C1CCC1SCCN=C(CCSSCCC(=NCCSC(C)(CC)CC)N)N

DOS

IR

Vibrations