Geometry & MOs

Info

ID:	232161
PubChem CID:	87575629
Reduced:	N2S2O6C11H22 (1)
Stoich.:	A2B2C6D11E22 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-271.53
Dipole, Da:	3.89
IP(EA), eV:	-8.63(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(4-isocyanatobutyl)cyclopentane

Drug info:

PubChemData

Smile

C(CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=S)NCCS

DOS

IR

Vibrations