Geometry & MOs

Info

ID:	440501
PubChem CID:	135230487
Reduced:	N2O4C33H52 (1)
Stoich.:	A2B4C33D52 (1)
Weight, g/mol:	542.24531
ΔH_f, kcal/mol:	-231.64
Dipole, Da:	0.87
IP(EA), eV:	-8.79(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(morpholin-2-ylmethoxy)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC(C1CCCCN1)C2=CC=C(C=C2)C3CCC(NC3)C(C4CCCCC4)OC(=O)C(C)C

DOS

IR

Vibrations