Geometry & MOs

Info

ID:	227983
PubChem CID:	87563171
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	444.016092
ΔH_f, kcal/mol:	-126.47
Dipole, Da:	5.87
IP(EA), eV:	-9.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-7-[(5S)-5-amino-6-carboxy-1-chloro-4-oxohex-1-enyl]sulfonyl-7-chloro-4-oxohept-6-enoic acid

Drug info:

PubChemData

Smile

C1COC2=C(CN1C(=O)O)C=C(C=C2)C=O

DOS

IR

Vibrations