Geometry & MOs

Info

ID:

106122

PubChem CID:

50149957

Reduced:

F3O4N5C31H38 (1)

Stoich.:

A3B4C5D31E38 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-319.04

Dipole, Da:

11.4

IP(EA), eV:

 -8.92(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations