Geometry & MOs

Info

ID:	24965
PubChem CID:	615231
Reduced:	S2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	229.07074
ΔH_f, kcal/mol:	35.83
Dipole, Da:	3.82
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-methyl-N'-(1,3-thiazol-2-yl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CCCCN(C)C(=NC1=NC=CS1)S

DOS

IR

Vibrations