Geometry & MOs

Info

ID:	177074
PubChem CID:	76132541
Reduced:	NO3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	529.99708
ΔH_f, kcal/mol:	-162.08
Dipole, Da:	2.67
IP(EA), eV:	-9.49(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-8-oxo-3-(1,3-thiazol-2-ylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC12CCC(C1(C)C)CC2=O)CC(C(=O)OC)N

DOS

IR

Vibrations