Geometry & MOs

Info

ID:

118253

PubChem CID:

50635846

Reduced:

ClO4N5C31H38 (1)

Stoich.:

AB4C5D31E38 (1)

Weight, g/mol:

619.15609

ΔHf, kcal/mol:

-153.44

Dipole, Da:

10.56

IP(EA), eV:

 -8.73(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-bromoanilino)-3-oxopropyl]-1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations