Geometry & MOs

Info

ID:	433665
PubChem CID:	135173805
Reduced:	O3N6C28H38 (1)
Stoich.:	A3B6C28D38 (1)
Weight, g/mol:	590.246396
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	4.7
IP(EA), eV:	-8.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[8-[3-[3-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

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]1CCN([C@@H]1C(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C(=O)[C@H](C4=CCCCC4)NC(=O)[C@H](C)NC

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]1CCN([C@@H]1C(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C(=O)[C@H](C4=CCCCC4)NC(=O)[C@H](C)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):