Geometry & MOs

Info

ID:

104233

PubChem CID:

50100099

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-230.55

Dipole, Da:

4.23

IP(EA), eV:

 -8.72(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexanecarbonylamino)phenyl]-1-[1-[2-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C)Cl

DOS

IR

Vibrations