Geometry & MOs

Info

ID:

112628

PubChem CID:

50413923

Reduced:

BrFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

776.26971

ΔHf, kcal/mol:

-230.67

Dipole, Da:

2.55

IP(EA), eV:

 -8.92(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations