Geometry & MOs

Info

ID:

95608

PubChem CID:

50010648

Reduced:

O4N5C33H39 (1)

Stoich.:

A4B5C33D39 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-136.6

Dipole, Da:

13.13

IP(EA), eV:

 -8.35(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)C)C

DOS

IR

Vibrations