Geometry & MOs

Info

ID:	58131
PubChem CID:	24424265
Reduced:	S2Cl3N3O3C18H18 (1)
Stoich.:	A2B3C3D3E18F18 (1)
Weight, g/mol:	328.056775
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	4.71
IP(EA), eV:	-8.91(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)-3-[(2,4-dichlorophenyl)methyl]thiourea

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations