Geometry & MOs

Info

ID:

98224

PubChem CID:

50040874

Reduced:

BrF2O4N5C33H34 (1)

Stoich.:

AB2C4D5E33F34 (1)

Weight, g/mol:

784.295152

ΔHf, kcal/mol:

-205.17

Dipole, Da:

8.44

IP(EA), eV:

 -8.94(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations