Geometry & MOs

Info

ID:	369309
PubChem CID:	127332307
Reduced:	SO3N5C14H25 (1)
Stoich.:	AB3C5D14E25 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	2.53
IP(EA), eV:	-9.13(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-tert-butyloxan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC2CCN(CC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations