Geometry & MOs

Info

ID:	278386
PubChem CID:	103835210
Reduced:	BrSN2O3C12H19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	5.3
IP(EA), eV:	-10.3(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-ethyl-2-hydroxypentyl)carbamate

Drug info:

PubChemData

Smile

CCC(CC)C(CNS(=O)(=O)C1=CC(=CN=C1)Br)O

DOS

IR

Vibrations