Geometry & MOs

Info

ID:	217437
PubChem CID:	85087821
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	4.53
IP(EA), eV:	-8.9(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydroxypropoxyimino)ethylidene]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(CNC(C)(C)COC2C=CC(=S)N=N2)O

DOS

IR

Vibrations