Geometry & MOs

Info

ID:	18959
PubChem CID:	551863
Reduced:	NOSC7H15 (1)
Stoich.:	ABCD7E15 (1)
Weight, g/mol:	161.087435
ΔH_f, kcal/mol:	-52.41
Dipole, Da:	1.71
IP(EA), eV:	-9.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-1-ethoxymethanimidothioic acid

Drug info:

PubChemData

Smile

CCC(C)N=C(OCC)S

DOS

IR

Vibrations