Geometry & MOs

Info

ID:	129947
PubChem CID:	51074349
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-146.38
Dipole, Da:	4.14
IP(EA), eV:	-9.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-imidazol-1-ylpropyl)-1-methylurea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NC(=O)N2CCC(=CC2)C3=CC=C(C=C3)O

DOS

IR

Vibrations