Geometry & MOs

Info

ID:	339863
PubChem CID:	127261872
Reduced:	NSO4C11H19 (1)
Stoich.:	ABC4D11E19 (1)
Weight, g/mol:	225.045964
ΔH_f, kcal/mol:	-188.38
Dipole, Da:	5.39
IP(EA), eV:	-8.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C/C=C/SC[C@@H](C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations