Geometry & MOs

Info

ID:	236310
PubChem CID:	92712308
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	328.160935
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	2.32
IP(EA), eV:	-8.22(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[2-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC=C2CCNC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations