Geometry & MOs

Info

ID:	436122
PubChem CID:	135193938
Reduced:	NC13H27 (1)
Stoich.:	AB13C27 (1)
Weight, g/mol:	515.041684
ΔH_f, kcal/mol:	-49.54
Dipole, Da:	1.17
IP(EA), eV:	-8.31(2.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R,6S,7R,8R)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-7-methyl-3,6,10-trioxo-11-oxa-6lambda4-thia-2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C)C1CCCCN1C(C)C

DOS

IR

Vibrations