Geometry & MOs

Info

ID:

106078

PubChem CID:

50148639

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-242.76

Dipole, Da:

7.92

IP(EA), eV:

 -8.79(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations