Geometry & MOs

Info

ID:	381628
PubChem CID:	134972420
Reduced:	N3O6C9H17 (1)
Stoich.:	A3B6C9D17 (1)
Weight, g/mol:	402.240624
ΔH_f, kcal/mol:	-197.93
Dipole, Da:	5.32
IP(EA), eV:	-9.91(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,13R,14S)-20-ethyl-5,7-dihydroxy-6,10,14-trimethyl-18,21-dioxapentacyclo[12.5.2.02,13.03,11.04,8]henicosa-1(20),9-dien-19-one

Drug info:

PubChemData

Smile

C(CN=[N+]=[N-])CO[C@@H]1C(C([C@@H](C(O1)CO)O)O)O

DOS

IR

Vibrations