Geometry & MOs

Info

ID:

93117

PubChem CID:

49991749

Reduced:

BrO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-230.75

Dipole, Da:

12.39

IP(EA), eV:

 -8.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C

DOS

IR

Vibrations