Geometry & MOs

Info

ID:

114888

PubChem CID:

50501070

Reduced:

BrFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

620.11496

ΔHf, kcal/mol:

-216.96

Dipole, Da:

1.1

IP(EA), eV:

 -8.92(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations