Geometry & MOs

Info

ID:	236305
PubChem CID:	92712300
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	342.176585
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	3.4
IP(EA), eV:	-9.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC=C(O2)C(=O)N[C@H](C)CCC3=CC=CC=C3)C

DOS

IR

Vibrations