Geometry & MOs

Info

ID:

104745

PubChem CID:

50105240

Reduced:

F2O4N5C29H37 (1)

Stoich.:

A2B4C5D29E37 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-239.2

Dipole, Da:

8.61

IP(EA), eV:

 -9.1(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations