Geometry & MOs

Info

ID:

99950

PubChem CID:

50056519

Reduced:

SO4N7C30H37 (1)

Stoich.:

AB4C7D30E37 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-99.6

Dipole, Da:

5.34

IP(EA), eV:

 -8.87(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbamoyl-2-methylphenyl)-1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations