Geometry & MOs

Info

ID:	302268
PubChem CID:	124360959
Reduced:	N2O7C29H30 (1)
Stoich.:	A2B7C29D30 (1)
Weight, g/mol:	495.219178
ΔH_f, kcal/mol:	-253.92
Dipole, Da:	9.16
IP(EA), eV:	-9.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9bS)-N-[(2S)-1-[(3-methoxyphenyl)methylamino]-4-methyl-1-oxopentan-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

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N[C@H](C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O)C)C

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

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N[C@H](C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):