Geometry & MOs

Info

ID:

91579

PubChem CID:

49977002

Reduced:

F2N5O5C31H39 (1)

Stoich.:

A2B5C5D31E39 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-282.58

Dipole, Da:

6.96

IP(EA), eV:

 -9.15(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations