Geometry & MOs

Info

ID:

90818

PubChem CID:

49972175

Reduced:

FO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-226.56

Dipole, Da:

4.8

IP(EA), eV:

 -9.07(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations