Geometry & MOs

Info

ID:	140173
PubChem CID:	52658098
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	3.87
IP(EA), eV:	-8.64(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)N[C@H](C3CCCC3)C4=CC=CS4

DOS

IR

Vibrations