Geometry & MOs

Info

ID:

112494

PubChem CID:

50409406

Reduced:

BrFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

736.23841

ΔHf, kcal/mol:

-214.62

Dipole, Da:

6.64

IP(EA), eV:

 -9.07(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations