Geometry & MOs

Info

ID:

117694

PubChem CID:

50611524

Reduced:

Cl2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-220.26

Dipole, Da:

3.76

IP(EA), eV:

 -9.16(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-[(4-fluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations