Geometry & MOs

Info

ID:

105644

PubChem CID:

50135533

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-228.1

Dipole, Da:

11.09

IP(EA), eV:

 -8.45(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations