Geometry & MOs

Info

ID:	165802
PubChem CID:	74599842
Reduced:	N4O5C28H28 (1)
Stoich.:	A4B5C28D28 (1)
Weight, g/mol:	470.097014
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	6.63
IP(EA), eV:	-9.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 3-(benzenesulfonamido)benzoate

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations