Geometry & MOs

Info

ID:	194742
PubChem CID:	78583881
Reduced:	F2S2N3O3H15C17 (1)
Stoich.:	A2B2C3D3E15F17 (1)
Weight, g/mol:	410.141045
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	4.7
IP(EA), eV:	-8.96(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethylsulfanyl)phenyl]-3-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC(=S)NC2=CC=C(C=C2)SC(F)F)OCC(=O)O

DOS

IR

Vibrations