Geometry & MOs

Info

ID:	140174
PubChem CID:	52658099
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	348.133006
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	4.28
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations