Geometry & MOs

Info

ID:

114512

PubChem CID:

50485825

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

681.17622

ΔHf, kcal/mol:

-214.22

Dipole, Da:

7.12

IP(EA), eV:

 -9.06(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)N(C)C)Cl)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations