Geometry & MOs

Info

ID:	440628
PubChem CID:	135230644
Reduced:	O5N6C27H40 (1)
Stoich.:	A5B6C27D40 (1)
Weight, g/mol:	598.266359
ΔH_f, kcal/mol:	-150.12
Dipole, Da:	8.61
IP(EA), eV:	-8.68(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-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

CCN1C[C@H](CO1)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)OCCC4CCN(C4)C(=O)OC(C)(C)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

CCN1C[C@H](CO1)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)OCCC4CCN(C4)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):