Geometry & MOs

Info

ID:	389778
PubChem CID:	134995172
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	232.088164
ΔH_f, kcal/mol:	-78.2
Dipole, Da:	1.83
IP(EA), eV:	-9.51(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-[(E)-4-hydroxybut-2-enyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)/C=C/C=C

DOS

IR

Vibrations