Geometry & MOs

Info

ID:	357789
PubChem CID:	127294632
Reduced:	S2N3O3C18H29 (1)
Stoich.:	A2B3C3D18E29 (1)
Weight, g/mol:	394.170848
ΔH_f, kcal/mol:	-135.64
Dipole, Da:	6.59
IP(EA), eV:	-8.53(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C)(C)NC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations