Geometry & MOs

Info

ID:

93851

PubChem CID:

49997215

Reduced:

FO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-260.25

Dipole, Da:

5.93

IP(EA), eV:

 -9.12(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations