Geometry & MOs

Info

ID:	426155
PubChem CID:	135141567
Reduced:	NS2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	532.22566
ΔH_f, kcal/mol:	30.97
Dipole, Da:	2.69
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-4-[5-[1-[(4-amino-3-methanimidoylbenzoyl)amino]propyl]pyridin-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=CS1)C2=NC=C(S2)C

DOS

IR

Vibrations