Geometry & MOs

Info

ID:	84751
PubChem CID:	49869644
Reduced:	ON5C27H35 (1)
Stoich.:	AB5C27D35 (1)
Weight, g/mol:	436.19444
ΔH_f, kcal/mol:	7.4
Dipole, Da:	6.73
IP(EA), eV:	-8.31(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations