Geometry & MOs

Info

ID:	157022
PubChem CID:	56412814
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	6.41
IP(EA), eV:	-9.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(1-methylpyrazol-4-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3CC3

DOS

IR

Vibrations