Geometry & MOs

Info

ID:	313172
PubChem CID:	126612364
Reduced:	FSO2N8H31C32 (1)
Stoich.:	ABC2D8E31F32 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	33.64
Dipole, Da:	4.19
IP(EA), eV:	-8.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-8-methyl-6-nitrobicyclo[4.2.0]octane-7-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)C2=CC3=C(NN=C3S2)C4=CC=C(C=C4)F)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7

DOS

IR

Vibrations