Geometry & MOs

Info

ID:	292039
PubChem CID:	114148349
Reduced:	BrNO2S2C12H18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-79.53
Dipole, Da:	6.45
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-4-[(3-hydroxycyclohexyl)methylamino]-2,2-dimethylbutanimidamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NCC2CCC(CC2)Br

DOS

IR

Vibrations