Geometry & MOs

Info

ID:

104808

PubChem CID:

50105634

Reduced:

O4N5C28H37 (1)

Stoich.:

A4B5C28D37 (1)

Weight, g/mol:

589.17

ΔHf, kcal/mol:

-152.21

Dipole, Da:

6.0

IP(EA), eV:

 -8.86(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations