Geometry & MOs

Info

ID:

45029

PubChem CID:

10507346

Reduced:

BrSN3O6H24C25 (1)

Stoich.:

ABC3D6E24F25 (1)

Weight, g/mol:

573.15062

ΔHf, kcal/mol:

-180.2

Dipole, Da:

12.87

IP(EA), eV:

 -9.01(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]-N-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2COC(=O)C3=CC=CC=C3)N4C=C(C(=O)NC4=O)/C=C/Br

DOS

IR

Vibrations