Geometry & MOs

Info

ID:	194996
PubChem CID:	78618441
Reduced:	FOSN4H19C21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	340.102768
ΔH_f, kcal/mol:	45.88
Dipole, Da:	8.69
IP(EA), eV:	-8.29(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=C1C=NNC(=S)NCC=C)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations