Geometry & MOs

Info

ID:

127126

PubChem CID:

50991872

Reduced:

SCl2O4N5C27H37 (1)

Stoich.:

AB2C4D5E27F37 (1)

Weight, g/mol:

597.194331

ΔHf, kcal/mol:

-158.12

Dipole, Da:

10.76

IP(EA), eV:

 -8.94(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-4-[3-chloro-6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyridin-2-yl]pyridin-2-yl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCCC(C1)C(=O)NC2=NC=C(C(=C2)C3=C(C=CC(=N3)NCC4CCOC(C4)(C)C)Cl)Cl

DOS

IR

Vibrations