Geometry & MOs

Info

ID:

96717

PubChem CID:

50023902

Reduced:

BrFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

736.23841

ΔHf, kcal/mol:

-208.74

Dipole, Da:

4.45

IP(EA), eV:

 -8.92(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Br)C(=O)N(C)C

DOS

IR

Vibrations