Geometry & MOs

Info

ID:	139196
PubChem CID:	52490004
Reduced:	SCl2O2N3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	373.041853
ΔH_f, kcal/mol:	-14.69
Dipole, Da:	6.75
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2,5-dichlorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)SC[C@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations