Geometry & MOs

Info

ID:	440577
PubChem CID:	135230574
Reduced:	O3N9C26H33 (1)
Stoich.:	A3B9C26D33 (1)
Weight, g/mol:	565.224909
ΔH_f, kcal/mol:	41.0
Dipole, Da:	7.36
IP(EA), eV:	-8.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-(2-methoxypyrimidin-5-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

CC1=C(N(N=C1C2=CN=C(N=C2)N3C[C@H]4C[C@@H](C3)N4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(OC6)CCOC

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=C(N(N=C1C2=CN=C(N=C2)N3C[C@H]4C[C@@H](C3)N4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(OC6)CCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):