Geometry & MOs

Info

ID:

113199

PubChem CID:

50434537

Reduced:

F4O4N5C34H37 (1)

Stoich.:

A4B4C5D34E37 (1)

Weight, g/mol:

662.415569

ΔHf, kcal/mol:

-310.36

Dipole, Da:

6.48

IP(EA), eV:

 -8.94(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(butan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C(=C(C=C3)F)F)F)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations