Geometry & MOs

Info

ID:	28723
PubChem CID:	829175
Reduced:	OSN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	293.038961
ΔH_f, kcal/mol:	59.12
Dipole, Da:	5.43
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylideneamino]-3-(furan-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CC(=NNC(=S)NCC1=CC=CO1)C2=CC=CC=C2

DOS

IR

Vibrations