Geometry & MOs

Info

ID:

99969

PubChem CID:

50056674

Reduced:

SF2O4N5C34H37 (1)

Stoich.:

AB2C4D5E34F37 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-205.39

Dipole, Da:

7.26

IP(EA), eV:

 -8.42(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)-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=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)SC

DOS

IR

Vibrations