Geometry & MOs

Info

ID:

322660

PubChem CID:

126670746

Reduced:

ClS2O6N10C50H57 (1)

Stoich.:

AB2C6D10E50F57 (1)

Weight, g/mol:

239.115758

ΔHf, kcal/mol:

-73.12

Dipole, Da:

6.71

IP(EA), eV:

 -9.12(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]hept-6-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4CCN(CC4)CCOC5=NOC(=C5)C(C(C)C)C(=O)N6C[C@@H](C[C@H]6C(=O)NCC7=CC=C(C=C7)C8=C(N=CS8)C)O)C9=CC=C(C=C9)Cl)C

DOS

IR

Vibrations