Geometry & MOs

Info

ID:

105560

PubChem CID:

50126394

Reduced:

BrO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-164.93

Dipole, Da:

4.9

IP(EA), eV:

 -9.01(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations