Geometry & MOs

Info

ID:

104161

PubChem CID:

50092285

Reduced:

BrO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

718.347883

ΔHf, kcal/mol:

-173.35

Dipole, Da:

9.16

IP(EA), eV:

 -8.46(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-methoxyanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC

DOS

IR

Vibrations