Geometry & MOs

Info

ID:	234959
PubChem CID:	92303786
Reduced:	FSN2O2C23H27 (1)
Stoich.:	ABC2D2E23F27 (1)
Weight, g/mol:	331.081305
ΔH_f, kcal/mol:	-114.09
Dipole, Da:	7.06
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)NC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)C3=CC(=CC=C3)F

DOS

IR

Vibrations