Geometry & MOs

Info

ID:	65309
PubChem CID:	29212039
Reduced:	SO2N6C27H28 (1)
Stoich.:	AB2C6D27E28 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	65.47
Dipole, Da:	3.02
IP(EA), eV:	-8.51(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-5-nitro-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCSC2=NNC(=N2)NN=C(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations