Geometry & MOs

Info

ID:	149808
PubChem CID:	53789485
Reduced:	SN4O6C20H22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	319.99426
ΔH_f, kcal/mol:	-124.67
Dipole, Da:	3.74
IP(EA), eV:	-8.94(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-[(2-bromo-1,3-thiazol-5-yl)methyl]-1-N,1-N,1-N'-trimethyl-2-nitroethene-1,1-diamine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations