Geometry & MOs

Info

ID:	30766
PubChem CID:	841820
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	290.047361
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	7.95
IP(EA), eV:	-8.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

DOS

IR

Vibrations