Geometry & MOs

Info

ID:

91342

PubChem CID:

49975217

Reduced:

N3O3C15H19 (2)

Stoich.:

A3B3C15D19 (2)

Weight, g/mol:

676.282089

ΔHf, kcal/mol:

-218.06

Dipole, Da:

4.52

IP(EA), eV:

 -9.2(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2,5-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]-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)NCC(=O)NC4=CC=CC=C4C(=O)NC

DOS

IR

Vibrations