Geometry & MOs

Info

ID:

97597

PubChem CID:

50032866

Reduced:

ClN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-167.86

Dipole, Da:

11.65

IP(EA), eV:

 -8.57(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-4-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations