Geometry & MOs

Info

ID:	244628
PubChem CID:	99368467
Reduced:	N3O5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	417.152241
ΔH_f, kcal/mol:	-197.53
Dipole, Da:	1.57
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-(thiomorpholin-4-ylmethyl)benzohydrazide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CNC(=O)CC3CCCC3)OC)OC

DOS

IR

Vibrations