Geometry & MOs

Info

ID:

114614

PubChem CID:

50489812

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-172.26

Dipole, Da:

8.81

IP(EA), eV:

 -8.66(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations