Geometry & MOs

Info

ID:	194739
PubChem CID:	78583644
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	400.992316
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	7.67
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-[1-(2,3,4-trichlorophenyl)ethylideneamino]thiourea

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations