Geometry & MOs

Info

ID:	388984
PubChem CID:	134990806
Reduced:	BrFPSO2N3C34H34 (1)
Stoich.:	ABCDE2F3G34H34 (1)
Weight, g/mol:	205.973918
ΔH_f, kcal/mol:	-24.9
Dipole, Da:	3.28
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-methylthiophen-3-yl)thiourea

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC(=C1CP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br)C5=CC=C(C=C5)F)N(C)S(=O)(=O)C

DOS

IR

Vibrations