Geometry & MOs

Info

ID:

106484

PubChem CID:

50165285

Reduced:

BrO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-155.41

Dipole, Da:

7.73

IP(EA), eV:

 -9.09(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(diethylcarbamoyl)phenyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C)Br

DOS

IR

Vibrations