Geometry & MOs

Info

ID:	58126
PubChem CID:	24424239
Reduced:	O2S2N3C22H31 (1)
Stoich.:	A2B2C3D22E31 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	7.15
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC=C2C(C)(C)C

DOS

IR

Vibrations