Geometry & MOs

Info

ID:

94425

PubChem CID:

50000917

Reduced:

O5N6C44H62 (1)

Stoich.:

A5B6C44D62 (1)

Weight, g/mol:

676.374847

ΔHf, kcal/mol:

-247.33

Dipole, Da:

7.98

IP(EA), eV:

 -8.88(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC=C5C(=O)NC6CCCCC6C)C

DOS

IR

Vibrations