Geometry & MOs

Info

ID:

95532

PubChem CID:

50010042

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-208.22

Dipole, Da:

11.28

IP(EA), eV:

 -8.81(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C)Cl

DOS

IR

Vibrations