Geometry & MOs

Info

ID:	246665
PubChem CID:	103064549
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	2.49
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(methylamino)ethyl]phenyl]-3-(thiolan-3-yl)urea

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NC2CCSC2)O

DOS

IR

Vibrations