Geometry & MOs

Info

ID:

107642

PubChem CID:

50212657

Reduced:

FN6O6C42H47 (1)

Stoich.:

AB6C6D42E47 (1)

Weight, g/mol:

736.338461

ΔHf, kcal/mol:

-237.51

Dipole, Da:

16.66

IP(EA), eV:

 -8.51(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-methoxyanilino)-3-oxopropyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C)OC

DOS

IR

Vibrations