Geometry & MOs

Info

ID:	216383
PubChem CID:	85086134
Reduced:	SN3O3C11H15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	261.132471
ΔH_f, kcal/mol:	-136.28
Dipole, Da:	7.9
IP(EA), eV:	-9.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-carboxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-methylimino-oxidoazanium

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=O)C3C(S2)NC(=O)NC3=O

DOS

IR

Vibrations