Geometry & MOs

Info

ID:

433376

PubChem CID:

135173513

Reduced:

S2F3O6N11C56H64 (1)

Stoich.:

A2B3C6D11E56F64 (1)

Weight, g/mol:

439.092595

ΔHf, kcal/mol:

-227.29

Dipole, Da:

12.75

IP(EA), eV:

 -8.15(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-[3-(5-amino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CN2CC(C2)N3CCN(CC3)C4=CC=C(C=C4)C5=CC6=C(NC=C6C(=O)C7=C(C=CC(=C7F)NS(=O)(=O)N8CC[C@H](C8)F)F)N=C5)C(=O)NCC9=CC=C(C=C9)C1=C(N=CS1)C

DOS

IR

Vibrations