Geometry & MOs

Info

ID:

110549

PubChem CID:

50329889

Reduced:

BrO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-187.72

Dipole, Da:

5.19

IP(EA), eV:

 -8.8(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations