Geometry & MOs

Info

ID:

119660

PubChem CID:

50695612

Reduced:

ClSO4N7C28H38 (1)

Stoich.:

ABC4D7E28F38 (1)

Weight, g/mol:

645.17174

ΔHf, kcal/mol:

-148.53

Dipole, Da:

4.49

IP(EA), eV:

 -9.2(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromoanilino)-2-oxoethyl]-1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations