Geometry & MOs

Info

ID:	37310
PubChem CID:	8019402
Reduced:	BrN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	400.118985
ΔH_f, kcal/mol:	-147.71
Dipole, Da:	8.41
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-1-oxopropan-2-yl] cyclobutanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)OCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations