Geometry & MOs

Info

ID:

114847

PubChem CID:

50498992

Reduced:

Cl2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-220.96

Dipole, Da:

9.34

IP(EA), eV:

 -8.95(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N)Cl

DOS

IR

Vibrations