Geometry & MOs

Info

ID:	265024
PubChem CID:	103507230
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	5.34
IP(EA), eV:	-7.93(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-4-amino-2-(3,4-dimethylpiperidin-1-yl)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCN(CC1C)C2=C(C(=C(S2)C(=O)N(C)C)N)OC

DOS

IR

Vibrations