Geometry & MOs

Info

ID:

103837

PubChem CID:

50077378

Reduced:

BrO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

598.290368

ΔHf, kcal/mol:

-118.7

Dipole, Da:

8.0

IP(EA), eV:

 -8.62(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamidoanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations