Geometry & MOs

Info

ID:	58069
PubChem CID:	24423870
Reduced:	S2N5O5C12H19 (1)
Stoich.:	A2B5C5D12E19 (1)
Weight, g/mol:	418.10931
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	6.34
IP(EA), eV:	-9.29(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-morpholin-4-ylpropyl)-3-(2-nitro-4-sulfamoylanilino)thiourea

Drug info:

PubChemData

Smile

CCOCCCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations