Geometry & MOs

Info

ID:	381472
PubChem CID:	134972223
Reduced:	S2N4O5C23H34 (1)
Stoich.:	A2B4C5D23E34 (1)
Weight, g/mol:	324.093249
ΔH_f, kcal/mol:	-209.68
Dipole, Da:	9.02
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-[(3-oxocyclohexen-1-yl)amino]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)C1CC2=CC=CC=C2CN1C(=O)N[C@H](CCSC)C(=O)O)NC(=O)[C@H](CS)N

DOS

IR

Vibrations