Geometry & MOs

Info

ID:	440509
PubChem CID:	135230495
Reduced:	FO4N8C30H33 (1)
Stoich.:	AB4C8D30E33 (1)
Weight, g/mol:	573.21115
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	5.85
IP(EA), eV:	-9.06(-0.77)
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-[2-(3,4-difluorophenyl)-4-methyl-5-(1-methylpyrazol-4-yl)pyrazol-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=CC3=C(N=C2)OC(=N3)C)C4=CC=CC=C4)NCOCN[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)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=CC3=C(N=C2)OC(=N3)C)C4=CC=CC=C4)NCOCN[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):