Geometry & MOs

Info

ID:	245144
PubChem CID:	99437697
Reduced:	S2N3O5C21H21 (1)
Stoich.:	A2B3C5D21E21 (1)
Weight, g/mol:	459.092263
ΔH_f, kcal/mol:	-152.09
Dipole, Da:	0.83
IP(EA), eV:	-8.95(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=CC(=C2)S(=O)(=O)N3C[C@@H](CC4=CC=CC=C43)C(=O)N)C

DOS

IR

Vibrations