Geometry & MOs

Info

ID:	174975
PubChem CID:	75840876
Reduced:	SO2N3C17H28 (1)
Stoich.:	AB2C3D17E28 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754485
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(3-methylpiperidin-1-yl)propan-2-ylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CC(C)NC(=O)C(C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations