Geometry & MOs

Info

ID:

99832

PubChem CID:

50055294

Reduced:

BrF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

752.288924

ΔHf, kcal/mol:

-268.36

Dipole, Da:

9.45

IP(EA), eV:

 -9.01(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)Br

DOS

IR

Vibrations