Geometry & MOs

Info

ID:

91810

PubChem CID:

49979304

Reduced:

FN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

722.319476

ΔHf, kcal/mol:

-243.6

Dipole, Da:

3.32

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations