Geometry & MOs

Info

ID:

91262

PubChem CID:

49974686

Reduced:

ClN5O5C32H40 (1)

Stoich.:

AB5C5D32E40 (1)

Weight, g/mol:

617.240497

ΔHf, kcal/mol:

-199.9

Dipole, Da:

1.82

IP(EA), eV:

 -9.07(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-chlorobenzoyl)amino]phenyl]-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=C(C=CC(=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations