Geometry & MOs

Info

ID:	339767
PubChem CID:	127261776
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	236.109568
ΔH_f, kcal/mol:	-191.85
Dipole, Da:	9.46
IP(EA), eV:	-10.07(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-1-[(E)-pyridin-4-ylmethylideneamino]thiourea

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)NS(=O)(=O)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations