Geometry & MOs

Info

ID:

116643

PubChem CID:

50570023

Reduced:

ClN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

615.262375

ΔHf, kcal/mol:

-210.21

Dipole, Da:

4.08

IP(EA), eV:

 -8.61(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations