Geometry & MOs

Info

ID:	328053
PubChem CID:	126691883
Reduced:	O3N4F7H29C30 (1)
Stoich.:	A3B4C7D29E30 (1)
Weight, g/mol:	551.164361
ΔH_f, kcal/mol:	-413.4
Dipole, Da:	8.12
IP(EA), eV:	-8.92(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[[6-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)pyridin-2-yl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

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@H](OC(=O)N1CC2=NC(=NC=C2C3=CC(=C(C=C3OC)F)C(C)C)N4CCC4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

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@H](OC(=O)N1CC2=NC(=NC=C2C3=CC(=C(C=C3OC)F)C(C)C)N4CCC4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):