Geometry & MOs

Info

ID:	305362
PubChem CID:	124772191
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	2.72
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitro-N-[(Z)-[(1S,2R,3R,5R,6R,7R,9R,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]aniline

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C

DOS

IR

Vibrations