Geometry & MOs

Info

ID:

114554

PubChem CID:

50488138

Reduced:

BrFO4N5C33H35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

732.283839

ΔHf, kcal/mol:

-168.2

Dipole, Da:

6.25

IP(EA), eV:

 -8.94(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[3-[(4-fluorophenyl)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)N3CCCC3C(=O)NC4=CC=CC=C4Br)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations