Geometry & MOs

Info

ID:	357199
PubChem CID:	127293703
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	399.165034
ΔH_f, kcal/mol:	-188.3
Dipole, Da:	11.12
IP(EA), eV:	-8.31(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(CC(CC4=O)(C)C)NC3=O

DOS

IR

Vibrations