Geometry & MOs

Info

ID:	145109
PubChem CID:	53463681
Reduced:	SP2N6O9C12H20 (1)
Stoich.:	AB2C6D9E12F20 (1)
Weight, g/mol:	325.138151
ΔH_f, kcal/mol:	-457.07
Dipole, Da:	5.69
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxysulfonothioyloxyethyl)-4-(2-methoxycyclohexyl)butan-1-amine

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NCCS)O)O)O)N

DOS

IR

Vibrations