Geometry & MOs

Info

ID:	172074
PubChem CID:	75462852
Reduced:	ClN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-134.79
Dipole, Da:	5.26
IP(EA), eV:	-8.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)N2CCCCC2)Cl)NC(=O)C3CCOCC3

DOS

IR

Vibrations