Geometry & MOs

Info

ID:	217757
PubChem CID:	85088333
Reduced:	ClNO5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	395.026407
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	3.35
IP(EA), eV:	-8.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butylsulfanylcarbonyl-7-chloro-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl acetate

Drug info:

PubChemData

Smile

CN(CCC12C3C(CC1(C=CC4=C2C(=C(C=C4)OC)O3)CCl)(OC)OC)O

DOS

IR

Vibrations