Geometry & MOs

Info

ID:

98349

PubChem CID:

50042995

Reduced:

F3O5N6C39H45 (1)

Stoich.:

A3B5C6D39E45 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-319.66

Dipole, Da:

5.4

IP(EA), eV:

 -9.2(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations