Geometry & MOs

Info

ID:	363590
PubChem CID:	127311669
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	307.102434
ΔH_f, kcal/mol:	-128.3
Dipole, Da:	6.31
IP(EA), eV:	-8.66(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CC1=CC(=CC=C1)NC(=O)NC2CCN3C2CCCC3

DOS

IR

Vibrations