Geometry & MOs

Info

ID:

107918

PubChem CID:

50223961

Reduced:

FO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-196.02

Dipole, Da:

6.67

IP(EA), eV:

 -8.92(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations