Geometry & MOs

Info

ID:	358438
PubChem CID:	127296006
Reduced:	SN3O4C12H23 (1)
Stoich.:	AB3C4D12E23 (1)
Weight, g/mol:	298.200491
ΔH_f, kcal/mol:	-181.81
Dipole, Da:	6.24
IP(EA), eV:	-9.22(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

COCCN1CCC(C1)NC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations