Geometry & MOs

Info

ID:	218339
PubChem CID:	85089201
Reduced:	O5C28H34 (1)
Stoich.:	A5B28C34 (1)
Weight, g/mol:	450.139548
ΔH_f, kcal/mol:	-152.24
Dipole, Da:	3.12
IP(EA), eV:	-8.66(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(2-amino-1,3-thiazol-4-yl)-3-cyclohexylprop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCCCC=CC=CCCC1=CC2=C(C=C1)OCO2)OC(=O)C(C3=CC=CC=C3)OC

DOS

IR

Vibrations