Geometry & MOs

Info

ID:	172347
PubChem CID:	75497199
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	4.36
IP(EA), eV:	-8.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[benzyl(methyl)amino]phenyl]-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

CCCN1C(=O)CCC2=C1C=CC(=C2)NC(=O)C3=CN(C(=O)C=C3)C

DOS

IR

Vibrations