Geometry & MOs

Info

ID:

100783

PubChem CID:

50064011

Reduced:

BrF2O5N6C34H35 (1)

Stoich.:

AB2C5D6E34F35 (1)

Weight, g/mol:

766.22899

ΔHf, kcal/mol:

-257.69

Dipole, Da:

13.54

IP(EA), eV:

 -8.72(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N

DOS

IR

Vibrations