Geometry & MOs

Info

ID:	31525
PubChem CID:	855823
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	53.2
Dipole, Da:	5.31
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-(propanoylamino)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NNC(=S)N2C3=CC=CC=C3

DOS

IR

Vibrations