Geometry & MOs

Info

ID:	61058
PubChem CID:	26704943
Reduced:	SN2O6H20C24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	462.02885
ΔH_f, kcal/mol:	-160.24
Dipole, Da:	6.06
IP(EA), eV:	-8.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=C(SC=C4)C(=O)OC

DOS

IR

Vibrations