Geometry & MOs

Info

ID:

120132

PubChem CID:

50715044

Reduced:

BrClO4N5C27H33 (1)

Stoich.:

ABC4D5E27F33 (1)

Weight, g/mol:

627.282362

ΔHf, kcal/mol:

-171.36

Dipole, Da:

7.48

IP(EA), eV:

 -8.72(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,5-dimethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl

DOS

IR

Vibrations