Geometry & MOs

Info

ID:

120003

PubChem CID:

50711318

Reduced:

ClN5O5C33H44 (1)

Stoich.:

AB5C5D33E44 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-214.72

Dipole, Da:

4.21

IP(EA), eV:

 -8.55(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations