Geometry & MOs

Info

ID:	169752
PubChem CID:	75143424
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	443.103873
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	4.93
IP(EA), eV:	-9.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4-dimethoxyanilino)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=NC(=NC(=O)C23)CNCC(C)C

DOS

IR

Vibrations