Geometry & MOs

Info

ID:

95668

PubChem CID:

50011561

Reduced:

ClN5O5C28H36 (1)

Stoich.:

AB5C5D28E36 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-194.14

Dipole, Da:

10.85

IP(EA), eV:

 -8.93(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations