Geometry & MOs

Info

ID:	443323
PubChem CID:	135258563
Reduced:	N2O4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	637.215505
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	1.58
IP(EA), eV:	-10.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]-1-propan-2-ylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(O)OC)C(=O)OC

DOS

IR

Vibrations