Geometry & MOs

Info

ID:	148874
PubChem CID:	53788544
Reduced:	OCl2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	443.09985
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	4.06
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-15,16-dihydroxy-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C(CC2=NC=CN2)O

DOS

IR

Vibrations