Geometry & MOs

Info

ID:	58129
PubChem CID:	24424248
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	361.065176
ΔH_f, kcal/mol:	1.85
Dipole, Da:	5.1
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-nitrophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)NC2=CC=CC3=C2CCCC3

DOS

IR

Vibrations