Geometry & MOs

Info

ID:	55380
PubChem CID:	17395313
Reduced:	N2O2S2C17H18 (1)
Stoich.:	A2B2C2D17E18 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	5.32
IP(EA), eV:	-8.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-chlorophenyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCC(=O)NC2CCSC3=CC=CC=C23

DOS

IR

Vibrations