Geometry & MOs

Info

ID:	387113
PubChem CID:	134984054
Reduced:	ClSO2N4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	239.101839
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	4.66
IP(EA), eV:	-9.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4Z)-4-(morpholin-4-ylhydrazinylidene)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N=[N+]=[N-]

DOS

IR

Vibrations