Geometry & MOs

Info

ID:	10161
PubChem CID:	98350
Reduced:	ClOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	270.059362
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	0.94
IP(EA), eV:	-8.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)urea

Drug info:

PubChemData

Smile

C1CSC2=CC=CC=C2C1NC(=O)NCCCl

DOS

IR

Vibrations