Geometry & MOs

Info

ID:	132879
PubChem CID:	51438335
Reduced:	SN3O5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	418.220261
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	5.78
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations