Geometry & MOs

Info

ID:	195012
PubChem CID:	78620290
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	355.110296
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	4.55
IP(EA), eV:	-8.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(furan-2-ylmethylideneamino)thiourea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=S)NN=C2CCCCC2C

DOS

IR

Vibrations