Geometry & MOs

Info

ID:	158627
PubChem CID:	56464339
Reduced:	ClSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	433.186238
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	4.37
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2-oxopyrrolidin-1-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

DOS

IR

Vibrations