Geometry & MOs

Info

ID:	388042
PubChem CID:	134987937
Reduced:	ClSN2O4C9H15 (1)
Stoich.:	ABC2D4E9F15 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-199.07
Dipole, Da:	5.64
IP(EA), eV:	-9.48(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]pent-4-enamide

Drug info:

PubChemData

Smile

CC(=O)NC(CSCC(C(=O)NC)Cl)C(=O)O

DOS

IR

Vibrations