Geometry & MOs

Info

ID:

106493

PubChem CID:

50165367

Reduced:

O4N5C30H39 (1)

Stoich.:

A4B5C30D39 (1)

Weight, g/mol:

537.275133

ΔHf, kcal/mol:

-165.02

Dipole, Da:

6.44

IP(EA), eV:

 -8.52(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C)C

DOS

IR

Vibrations