Geometry & MOs

Info

ID:	37531
PubChem CID:	8021949
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	283.146681
ΔH_f, kcal/mol:	29.09
Dipole, Da:	5.94
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)SC2=NN=NN2C

DOS

IR

Vibrations