Geometry & MOs

Info

ID:	400389
PubChem CID:	135047759
Reduced:	SO4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	5.38
IP(EA), eV:	-10.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(E)-4,5-dihydroxypent-2-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2(CC2C=C)C(=O)OC

DOS

IR

Vibrations