Geometry & MOs

Info

ID:

91382

PubChem CID:

49975583

Reduced:

ClFN5O5C29H35 (1)

Stoich.:

ABC5D5E29F35 (1)

Weight, g/mol:

690.297739

ΔHf, kcal/mol:

-242.77

Dipole, Da:

2.23

IP(EA), eV:

 -9.12(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-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)NCCC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations