Geometry & MOs

Info

ID:	139292
PubChem CID:	52504733
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	99.98
Dipole, Da:	5.29
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@@H](C#N)SC2=NN=C(N2CC3=CC=CO3)C4CC4

DOS

IR

Vibrations