Geometry & MOs

Info

ID:	39154
PubChem CID:	8139808
Reduced:	ClSN3O5H8C14 (1)
Stoich.:	ABC3D5E8F14 (1)
Weight, g/mol:	341.068156
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	2.97
IP(EA), eV:	-9.72(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NOC(=N2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Cl

DOS

IR

Vibrations