Geometry & MOs

Info

ID:	233973
PubChem CID:	92297455
Reduced:	ClOSN2C17H23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	379.208219
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	3.93
IP(EA), eV:	-8.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanoethyl)-3-naphthalen-1-yl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]thiourea

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CC(C1)(C)C)NC(=S)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations