Geometry & MOs

Info

ID:

110494

PubChem CID:

50326788

Reduced:

N5O5C33H45 (1)

Stoich.:

A5B5C33D45 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-211.65

Dipole, Da:

11.55

IP(EA), eV:

 -8.47(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC)C(=O)NC(C)C

DOS

IR

Vibrations