Geometry & MOs

Info

ID:

105009

PubChem CID:

50106154

Reduced:

F2N6O6C41H50 (1)

Stoich.:

A2B6C6D41E50 (1)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-318.08

Dipole, Da:

6.43

IP(EA), eV:

 -8.99(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations