Geometry & MOs

Info

ID:	346017
PubChem CID:	127270334
Reduced:	SO2N4C19H34 (1)
Stoich.:	AB2C4D19E34 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	6.66
IP(EA), eV:	-8.52(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCC(CC1)C(=O)N2CCSCC2)N3CCN(CC3)C

DOS

IR

Vibrations