Geometry & MOs

Info

ID:

119955

PubChem CID:

50708481

Reduced:

ClFO5N6C31H32 (1)

Stoich.:

ABC5D6E31F32 (1)

Weight, g/mol:

651.201525

ΔHf, kcal/mol:

-203.12

Dipole, Da:

4.54

IP(EA), eV:

 -9.07(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations