Geometry & MOs

Info

ID:	367112
PubChem CID:	127323321
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-175.13
Dipole, Da:	2.85
IP(EA), eV:	-8.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC2CCN(C2=O)C(C)C)OCC3CCCO3

DOS

IR

Vibrations