Geometry & MOs

Info

ID:

95827

PubChem CID:

50015455

Reduced:

FO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

710.27913

ΔHf, kcal/mol:

-220.97

Dipole, Da:

8.38

IP(EA), eV:

 -8.86(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C

DOS

IR

Vibrations