Geometry & MOs

Info

ID:

104706

PubChem CID:

50104922

Reduced:

BrO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-150.6

Dipole, Da:

9.22

IP(EA), eV:

 -8.94(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-(propanoylamino)phenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations