Geometry & MOs

Info

ID:	128046
PubChem CID:	51028617
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	356.164854
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	5.51
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC=CC=C3SCC#N

DOS

IR

Vibrations