Geometry & MOs

Info

ID:

114851

PubChem CID:

50499039

Reduced:

BrCl2O4N5C29H34 (1)

Stoich.:

AB2C4D5E29F34 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-144.4

Dipole, Da:

4.67

IP(EA), eV:

 -8.89(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations