Geometry & MOs

Info

ID:	35411
PubChem CID:	7979821
Reduced:	ClSN2O6H15C16 (1)
Stoich.:	ABC2D6E15F16 (1)
Weight, g/mol:	412.049585
ΔH_f, kcal/mol:	-143.29
Dipole, Da:	4.04
IP(EA), eV:	-8.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations