Geometry & MOs

Info

ID:

107374

PubChem CID:

50200552

Reduced:

BrFO5N6C35H38 (1)

Stoich.:

ABC5D6E35F38 (1)

Weight, g/mol:

662.415569

ΔHf, kcal/mol:

-211.74

Dipole, Da:

11.58

IP(EA), eV:

 -8.71(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N

DOS

IR

Vibrations