Geometry & MOs

Info

ID:	297970
PubChem CID:	117644140
Reduced:	FON8C23H31 (1)
Stoich.:	ABC8D23E31 (1)
Weight, g/mol:	368.194737
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	5.24
IP(EA), eV:	-7.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]-4-nitrocyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1CCC1)NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4N(C)C)C)C(=O)N)F)N

DOS

IR

Vibrations