Geometry & MOs

Info

ID:	62599
PubChem CID:	26725244
Reduced:	ClS2N3O7C18H24 (1)
Stoich.:	AB2C3D7E18F24 (1)
Weight, g/mol:	483.149778
ΔH_f, kcal/mol:	-257.97
Dipole, Da:	7.02
IP(EA), eV:	-9.72(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3R)-1,1-dioxothiolane-3-carbonyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)Cl

DOS

IR

Vibrations