Geometry & MOs

Info

ID:

117334

PubChem CID:

50598459

Reduced:

ClO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-129.51

Dipole, Da:

7.24

IP(EA), eV:

 -8.81(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)C

DOS

IR

Vibrations