Geometry & MOs

Info

ID:	440453
PubChem CID:	135230430
Reduced:	FO5N7C27H32 (1)
Stoich.:	AB5C7D27E32 (1)
Weight, g/mol:	465.237604
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	14.84
IP(EA), eV:	-8.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-2-(2-methoxyethyl)-5-methyl-1,2-oxazolidin-4-yl]-3-[5-(4-methoxyphenyl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC(=O)NC2CC2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations