Geometry & MOs

Info

ID:	61054
PubChem CID:	26704914
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	372.077993
ΔH_f, kcal/mol:	-95.64
Dipole, Da:	1.08
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NC1=C(SC=C1)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations