Geometry & MOs

Info

ID:	168799
PubChem CID:	75020587
Reduced:	ClO3N5C35H40 (1)
Stoich.:	AB3C5D35E40 (1)
Weight, g/mol:	533.075391
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	6.74
IP(EA), eV:	-8.86(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[[2-(2,6-difluorophenyl)sulfonyl-4-(trifluoromethyl)phenyl]methyl]phenyl]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(CC1NC3CO3)C(=CC=C2)N4CCN(CC4)C(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C6CC7=CC=CC=C7CN6

DOS

IR

Vibrations