Geometry & MOs

Info

ID:

110785

PubChem CID:

50340177

Reduced:

BrO3N4C28H37 (1)

Stoich.:

AB3C4D28E37 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-129.46

Dipole, Da:

5.02

IP(EA), eV:

 -8.84(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)Br

DOS

IR

Vibrations