Geometry & MOs

Info

ID:	427728
PubChem CID:	135161731
Reduced:	NSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	294.116877
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	5.22
IP(EA), eV:	-8.81(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(E)-2-amino-5-chloropent-2-en-3-yl]-3-hydroxy-2,4-dimethyl-2-sulfanylpentanamide

Drug info:

PubChemData

Smile

CC1=CS[C@@]2([C@H]1NC2=O)[C@H](C(C)C)O

DOS

IR

Vibrations