Geometry & MOs

Info

ID:

118121

PubChem CID:

50629741

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-205.6

Dipole, Da:

10.14

IP(EA), eV:

 -8.9(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations