Geometry & MOs

Info

ID:	62603
PubChem CID:	26725254
Reduced:	S2N3O6C19H27 (1)
Stoich.:	A2B3C6D19E27 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-233.32
Dipole, Da:	7.24
IP(EA), eV:	-9.63(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C

DOS

IR

Vibrations