Geometry & MOs

Info

ID:	46688
PubChem CID:	10526269
Reduced:	P2N3O9C13H19 (1)
Stoich.:	A2B3C9D13E19 (1)
Weight, g/mol:	423.164165
ΔH_f, kcal/mol:	-486.7
Dipole, Da:	2.34
IP(EA), eV:	-8.22(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,6R)-6-hydroxy-8,10-dioxo-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decan-5-yl]methylamino]benzaldehyde

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

CNC1=C2C=CN(C2=NC=C1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O

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

CNC1=C2C=CN(C2=NC=C1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):