Geometry & MOs

Info

ID:

110446

PubChem CID:

50325053

Reduced:

FO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-201.82

Dipole, Da:

4.63

IP(EA), eV:

 -8.82(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations