Geometry & MOs

Info

ID:	144242
PubChem CID:	53336739
Reduced:	ClSN5O5C24H32 (1)
Stoich.:	ABC5D5E24F32 (1)
Weight, g/mol:	546.26244
ΔH_f, kcal/mol:	-159.0
Dipole, Da:	10.56
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)C

DOS

IR

Vibrations