Geometry & MOs

Info

ID:

108074

PubChem CID:

50229185

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-203.81

Dipole, Da:

10.81

IP(EA), eV:

 -8.9(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)N(C)C

DOS

IR

Vibrations