Geometry & MOs

Info

ID:	233589
PubChem CID:	91145542
Reduced:	ClSBr2N2O5H17C23 (1)
Stoich.:	ABC2D2E5F17G23 (1)
Weight, g/mol:	645.1969
ΔH_f, kcal/mol:	-133.56
Dipole, Da:	12.81
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(4-bromophenyl)-4-[3-[4-chloro-1-(3-methoxypropyl)indol-2-yl]piperidin-1-yl]-4-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)C2=CNC3=C2C=C(C=C3)C4=C(C(=C(C=C4C[C@@H](C(=O)O)N)Br)O)Br)Cl

DOS

IR

Vibrations