Geometry & MOs

Info

ID:	37534
PubChem CID:	8021980
Reduced:	FOSN4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	294.12628
ΔH_f, kcal/mol:	15.16
Dipole, Da:	3.97
IP(EA), eV:	-9.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)F)SC2=NN=NN2C

DOS

IR

Vibrations