Geometry & MOs

Info

ID:	357226
PubChem CID:	127293730
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	397.149384
ΔH_f, kcal/mol:	25.73
Dipole, Da:	5.63
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)NC4CCN(C4)C5CC5)C

DOS

IR

Vibrations