Geometry & MOs

Info

ID:	440396
PubChem CID:	135230355
Reduced:	O3N7C23H29 (1)
Stoich.:	A3B7C23D29 (1)
Weight, g/mol:	593.256209
ΔH_f, kcal/mol:	1.56
Dipole, Da:	5.96
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[5-[5-[hydroxy(methylamino)methyl]-1-methyl-6-oxopyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

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]1[C@@H](CN(O1)C(C)C)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CN=C(N=C4)OC)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

C[C@H]1[C@@H](CN(O1)C(C)C)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CN=C(N=C4)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):