Geometry & MOs

Info

ID:

91247

PubChem CID:

49974487

Reduced:

N5O6C31H41 (1)

Stoich.:

A5B6C31D41 (1)

Weight, g/mol:

631.280612

ΔHf, kcal/mol:

-231.38

Dipole, Da:

5.35

IP(EA), eV:

 -8.26(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]-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)NC4=CC(=C(C=C4)NC(=O)C(C)C)OC

DOS

IR

Vibrations