Geometry & MOs

Info

ID:	49274
PubChem CID:	11532578
Reduced:	BrNO4H20C23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	454.167477
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	2.65
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-ylpropyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1Br)OC)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations