Geometry & MOs

Info

ID:	394829
PubChem CID:	135023890
Reduced:	NSiO5C29H39 (1)
Stoich.:	ABC5D29E39 (1)
Weight, g/mol:	398.157682
ΔH_f, kcal/mol:	-227.5
Dipole, Da:	4.36
IP(EA), eV:	-9.14(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,7R,8S,10S,11S,12R,13S)-1,7,13-trihydroxy-3'-(1-hydroxyethyl)-5,5,12-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,6.08,12]tridecane-11,5'-oxolane]-2',3-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCC(C)(C)/C=C(\CN3CCOC3=O)/C(=O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCC(C)(C)/C=C(\CN3CCOC3=O)/C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):