Geometry & MOs

Info

ID:	357313
PubChem CID:	127293946
Reduced:	S2N4O4C13H26 (1)
Stoich.:	A2B4C4D13E26 (1)
Weight, g/mol:	364.123898
ΔH_f, kcal/mol:	-173.95
Dipole, Da:	7.31
IP(EA), eV:	-8.61(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxoazepan-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations