Geometry & MOs

Info

ID:	405226
PubChem CID:	135073064
Reduced:	BrN3O3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	560.103556
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	4.37
IP(EA), eV:	-10.3(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-[(2S)-2-[[(2-nitrophenyl)sulfonyl-prop-2-ynylamino]methyl]cyclopent-3-en-1-yl]-N-prop-2-enylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC(C(O1)Br)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations