Geometry & MOs

Info

ID:	194862
PubChem CID:	78599001
Reduced:	SCl2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	372.04233
ΔH_f, kcal/mol:	64.4
Dipole, Da:	6.33
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-pyridin-3-ylethylideneamino)thiourea

Drug info:

PubChemData

Smile

CCC(=NNC(=S)NC1=C(C(=CC=C1)Cl)C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations