Geometry & MOs

Info

ID:	140172
PubChem CID:	52658097
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	1.64
IP(EA), eV:	-8.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylurea

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](C3CCCC3)C4=CC=CS4)OC

DOS

IR

Vibrations