Geometry & MOs

Info

ID:

105547

PubChem CID:

50111255

Reduced:

O5N6C34H38 (1)

Stoich.:

A5B6C34D38 (1)

Weight, g/mol:

628.280946

ΔHf, kcal/mol:

-157.41

Dipole, Da:

10.57

IP(EA), eV:

 -8.82(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations