Geometry & MOs

Info

ID:	187039
PubChem CID:	77523394
Reduced:	Cl2F2N3O3C28H29 (1)
Stoich.:	A2B2C3D3E28F29 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-156.67
Dipole, Da:	3.89
IP(EA), eV:	-9.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-bicyclo[3.2.0]hept-3-enyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC1C(C(C(N1)C(=O)NC2(CC2)C(=O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations