Geometry & MOs

Info

ID:	437505
PubChem CID:	135226430
Reduced:	F2O4N5C25H29 (1)
Stoich.:	A2B4C5D25E29 (1)
Weight, g/mol:	472.203445
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	2.07
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CCOC1=NN(C(=C1C)NC(=O)N[C@@H]2CN(O[C@H]2C3=CC(=C(C=C3)F)F)CCOC)C4=CC=CC=C4

DOS

IR

Vibrations