Geometry & MOs

Info

ID:	245143
PubChem CID:	99437696
Reduced:	FSO4N5H20C23 (1)
Stoich.:	ABC4D5E20F23 (1)
Weight, g/mol:	459.092263
ΔH_f, kcal/mol:	-80.35
Dipole, Da:	5.82
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[(3R)-3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3-methylthieno[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC=C(C=C4)F

DOS

IR

Vibrations