Geometry & MOs

Info

ID:

91395

PubChem CID:

49975665

Reduced:

N6O7C36H48 (1)

Stoich.:

A6B7C36D48 (1)

Weight, g/mol:

698.342798

ΔHf, kcal/mol:

-282.71

Dipole, Da:

11.37

IP(EA), eV:

 -8.84(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-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(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations