Geometry & MOs

Info

ID:	426144
PubChem CID:	135141305
Reduced:	SO2N5H25C28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	54.5
Dipole, Da:	3.14
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-hydroxypropyl)pyridin-3-yl]-N-(oxan-4-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC(=C1)C2=CSC(=C2)C(=O)NC3=CN(N=C3)C)NC(=O)C4=CC5=C(C=C4)C=NC=C5

DOS

IR

Vibrations