Geometry & MOs

Info

ID:	58028
PubChem CID:	24423397
Reduced:	ClO3S3N4H17C19 (1)
Stoich.:	AB3C3D4E17F19 (1)
Weight, g/mol:	467.938449
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	4.33
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-3-[2-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations