Geometry & MOs

Info

ID:	319829
PubChem CID:	126657363
Reduced:	OSN3C17H29 (1)
Stoich.:	ABC3D17E29 (1)
Weight, g/mol:	380.97967
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	5.38
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]ethynyl thiohypoiodite

Drug info:

PubChemData

Smile

CCCC[S@@](=O)NC(C1CCN(CC1)C)C2=NC=C(C=C2)C

DOS

IR

Vibrations