Geometry & MOs

Info

ID:	434255
PubChem CID:	135174529
Reduced:	PN8O8C21H25 (1)
Stoich.:	AB8C8D21E25 (1)
Weight, g/mol:	227.098
ΔH_f, kcal/mol:	-290.33
Dipole, Da:	11.53
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-2-thia-6-azabicyclo[3.2.0]hept-3-en-7-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O[C@@H]2CC(OC2N3C=NC4=C3NC=NC4=O)CO)N5C=CC6=C(N=CN=C65)N

DOS

IR

Vibrations