Geometry & MOs

Info

ID:	178787
PubChem CID:	76382305
Reduced:	NSO2C8H13 (2)
Stoich.:	ABC2D8E13 (2)
Weight, g/mol:	360.135508
ΔH_f, kcal/mol:	-207.44
Dipole, Da:	7.68
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-4-(4-hydroxypiperidine-1-carbonyl)-3,3-dimethyl-7-oxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)NC1CCSC2CCC(N2C1=O)C(=O)O)S

DOS

IR

Vibrations