Geometry & MOs

Info

ID:	35410
PubChem CID:	7979820
Reduced:	N2O5H20C22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	398.033935
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	3.57
IP(EA), eV:	-9.17(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(4-chloro-2-nitrophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)OC

DOS

IR

Vibrations