Geometry & MOs

Info

ID:

114942

PubChem CID:

50502838

Reduced:

ClN6O6C30H39 (1)

Stoich.:

AB6C6D30E39 (1)

Weight, g/mol:

656.308911

ΔHf, kcal/mol:

-240.21

Dipole, Da:

9.72

IP(EA), eV:

 -9.01(-0.66)

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-(diethylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)NC)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations