Geometry & MOs

Info

ID:	437715
PubChem CID:	135226880
Reduced:	S2O14C37H56 (1)
Stoich.:	A2B14C37D56 (1)
Weight, g/mol:	469.127169
ΔH_f, kcal/mol:	-601.94
Dipole, Da:	4.8
IP(EA), eV:	-8.8(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclobutylsulfonimidoyl)-2-(2,4-difluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCSC1C(CCCCO1)(COCC2COC(CC(O2)C(=O)OCC/C=C(\C)/C(=O)OC3(CSC(CO3)OC)C)(C)OC(=O)C(=C)C)OC(=O)C(=C)C

DOS

IR

Vibrations