Geometry & MOs

Info

ID:	26080
PubChem CID:	638031
Reduced:	NaSN3O8C16H20 (1)
Stoich.:	ABC3D8E16F20 (1)
Weight, g/mol:	96.0939
ΔH_f, kcal/mol:	-384.0
Dipole, Da:	3.95
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-bicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])SC1)C(=O)[O-].[Na+]

DOS

IR

Vibrations