Geometry & MOs

Info

ID:	237993
PubChem CID:	92728697
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	291.165686
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	11.06
IP(EA), eV:	-8.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-2-(2,5-dimethylphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(N=C(S1)NC(=O)[C@@H](CCSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations