Geometry & MOs

Info

ID:

94729

PubChem CID:

50003477

Reduced:

BrO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

607.336984

ΔHf, kcal/mol:

-178.64

Dipole, Da:

7.85

IP(EA), eV:

 -8.81(-0.22)

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-(2,5-dimethoxyphenyl)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=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations