Geometry & MOs

Info

ID:

96663

PubChem CID:

50023286

Reduced:

BrFO4N5C35H41 (1)

Stoich.:

ABC4D5E35F41 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-185.45

Dipole, Da:

9.98

IP(EA), eV:

 -8.82(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations