Geometry & MOs

Info

ID:	325820
PubChem CID:	126685132
Reduced:	ClSN4O4C31H49 (1)
Stoich.:	ABC4D4E31F49 (1)
Weight, g/mol:	683.94556
ΔH_f, kcal/mol:	-173.44
Dipole, Da:	2.81
IP(EA), eV:	-9.04(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3,5-bis(trifluoromethyl)benzoyl]-5-iodophenyl]-[3,5-bis(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1CCC(CC1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)N

DOS

IR

Vibrations