Geometry & MOs

Info

ID:

105205

PubChem CID:

50106636

Reduced:

BrFO3N4C31H34 (1)

Stoich.:

ABC3D4E31F34 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-143.24

Dipole, Da:

5.76

IP(EA), eV:

 -8.77(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations