Geometry & MOs

Info

ID:

410711

PubChem CID:

135083512

Reduced:

NOSeC9H10 (1)

Stoich.:

ABCD9E10 (1)

Weight, g/mol:

207.056529

ΔHf, kcal/mol:

31.79

Dipole, Da:

5.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757689

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-(sulfamoylmethyl)pent-4-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=N)[Se]

DOS

IR

Vibrations