Geometry & MOs

Info

ID:	161764
PubChem CID:	57392578
Reduced:	ClSN2O2C27H36 (1)
Stoich.:	ABC2D2E27F36 (1)
Weight, g/mol:	436.12963
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	1.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752162
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-5-yl)propyl N'-benzyl-N-cyclohexylcarbamimidothioate;hydrobromide

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=C1)(C(=O)O[C@H]2C[N+]3(CCC2CC3)CCC4=CC=C(S4)Cl)N5CCCCC5

DOS

IR

Vibrations