Geometry & MOs

Info

ID:	183840
PubChem CID:	77078029
Reduced:	FSN3O5C25H26 (1)
Stoich.:	ABC3D5E25F26 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-225.97
Dipole, Da:	4.69
IP(EA), eV:	-8.8(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9,10-dihydroanthracene-9-carboxamide

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

CCC1CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4SC5=CC=CC=C35)O)F

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

CCC1CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4SC5=CC=CC=C35)O)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):