Geometry & MOs

Info

ID:	84854
PubChem CID:	49870334
Reduced:	O3N5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	494.159946
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	6.15
IP(EA), eV:	-8.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=C(N(C(=N3)C)C4=CC5=C(C=C4)OCCO5)C)C

DOS

IR

Vibrations