Geometry & MOs

Info

ID:	58040
PubChem CID:	24423675
Reduced:	ClO2S2N3C20H22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	339.036374
ΔH_f, kcal/mol:	-28.26
Dipole, Da:	4.81
IP(EA), eV:	-8.77(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)thiourea

Drug info:

PubChemData

Smile

C1CC2CC1CC2NC(=S)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations