Geometry & MOs

Info

ID:

91214

PubChem CID:

49974105

Reduced:

ClN5O5C33H42 (1)

Stoich.:

AB5C5D33E42 (1)

Weight, g/mol:

607.336984

ΔHf, kcal/mol:

-199.27

Dipole, Da:

10.26

IP(EA), eV:

 -8.99(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylcarbamoyl)-2-methoxyphenyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations