Geometry & MOs

Info

ID:

104636

PubChem CID:

50104792

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-219.13

Dipole, Da:

12.5

IP(EA), eV:

 -8.96(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-methylbutanoylamino)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=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations