Geometry & MOs

Info

ID:	188324
PubChem CID:	77700089
Reduced:	BrN2O2S2C27H30 (1)
Stoich.:	AB2C2D2E27F30 (1)
Weight, g/mol:	475.10549
ΔH_f, kcal/mol:	19.57
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754917
Charge, e:	1

Chem-info

IUPAC name:

[1-(cyclopropylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-[(5-bromothiophen-2-yl)methyl]-N-phenylcarbamate

Drug info:

PubChemData

Smile

C1C[N+]2(CCC1C(C2)OC(=O)N(CC3=CC(=CS3)Br)C4=CC=CC=C4)CCSC5=CC=CC=C5

DOS

IR

Vibrations