Geometry & MOs

Info

ID:	167717
PubChem CID:	74862651
Reduced:	N3O6H21C22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	3.7
IP(EA), eV:	-8.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxyphenyl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OCC3=CC=C(O3)C(=O)OC

DOS

IR

Vibrations