Geometry & MOs

Info

ID:

106282

PubChem CID:

50155722

Reduced:

O5N6C36H52 (1)

Stoich.:

A5B6C36D52 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-239.84

Dipole, Da:

8.11

IP(EA), eV:

 -8.75(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations