Geometry & MOs

Info

ID:	202517
PubChem CID:	79681395
Reduced:	SO2N3C12H23 (1)
Stoich.:	AB2C3D12E23 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	-98.19
Dipole, Da:	4.36
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylimidazol-1-yl)ethyl]morpholine-2-carbothioamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CN1CCOC(C1)C(=S)N

DOS

IR

Vibrations