Geometry & MOs

Info

ID:	36779
PubChem CID:	8012608
Reduced:	SN4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	346.125218
ΔH_f, kcal/mol:	145.34
Dipole, Da:	5.93
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(N2C3=CC=CC=C3)S[C@@H](CC4=CC=CC=C4)C#N

DOS

IR

Vibrations