Geometry & MOs

Info

ID:	141455
PubChem CID:	52878536
Reduced:	ClSN3O3C14H14 (1)
Stoich.:	ABC3D3E14F14 (1)
Weight, g/mol:	475.159949
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	2.76
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2S)-2-benzylsulfanyl-3-methylbutanoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

Drug info:

PubChemData

Smile

COC(=O)N1CCC[C@@H]1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations