Geometry & MOs

Info

ID:	135101
PubChem CID:	51814477
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-162.63
Dipole, Da:	2.04
IP(EA), eV:	-9.54(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-2-[(2-hydroxyacetyl)-propylamino]-N-[(4-methylphenyl)sulfonylmethyl]pent-3-enamide

Drug info:

PubChemData

Smile

CCCN([C@H](/C=C/C)C(=O)NC(C)(C)C)C(=O)CO

DOS

IR

Vibrations