Geometry & MOs

Info

ID:	399822
PubChem CID:	135042952
Reduced:	O2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	260.053707
ΔH_f, kcal/mol:	-159.14
Dipole, Da:	5.87
IP(EA), eV:	-10.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S)-4-methyl-10-thia-1,8-diaza-7-phosphatetracyclo[7.7.0.02,7.011,16]hexadeca-4,8,11,13,15-pentaene

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C[C@@H](C(=O)C=C1)O

DOS

IR

Vibrations