Geometry & MOs

Info

ID:	302265
PubChem CID:	124360950
Reduced:	N3O6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	495.219178
ΔH_f, kcal/mol:	-264.11
Dipole, Da:	9.25
IP(EA), eV:	-9.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,9bS)-N-[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-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

C[C@H]([C@H](C(=O)O)NC(=O)[C@@H](CC(C)C)N1C(=O)C2=CC=CC=C2NC1=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

C[C@H]([C@H](C(=O)O)NC(=O)[C@@H](CC(C)C)N1C(=O)C2=CC=CC=C2NC1=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):