Geometry & MOs

Info

ID:

106379

PubChem CID:

50160797

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-230.47

Dipole, Da:

7.76

IP(EA), eV:

 -8.85(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations