Geometry & MOs

Info

ID:	354486
PubChem CID:	127287035
Reduced:	SO2N3C14H27 (1)
Stoich.:	AB2C3D14E27 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-111.09
Dipole, Da:	3.73
IP(EA), eV:	-8.65(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylcyclopentyl)-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)NC2CCSCC2

DOS

IR

Vibrations