Geometry & MOs

Info

ID:

94686

PubChem CID:

50003289

Reduced:

BrO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-163.11

Dipole, Da:

6.29

IP(EA), eV:

 -8.86(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations