Geometry & MOs

Info

ID:

90717

PubChem CID:

49971725

Reduced:

N6O7C39H48 (1)

Stoich.:

A6B7C39D48 (1)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-250.66

Dipole, Da:

9.55

IP(EA), eV:

 -8.75(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-chlorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-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)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations