Geometry & MOs

Info

ID:

98915

PubChem CID:

50047344

Reduced:

BrF3O4N5C31H31 (1)

Stoich.:

AB3C4D5E31F31 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-248.85

Dipole, Da:

9.73

IP(EA), eV:

 -8.91(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(dimethylcarbamoyl)-2-methylphenyl]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)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations