Geometry & MOs

Info

ID:	34519
PubChem CID:	7978615
Reduced:	SN3O5C19H29 (1)
Stoich.:	AB3C5D19E29 (1)
Weight, g/mol:	389.114234
ΔH_f, kcal/mol:	-212.34
Dipole, Da:	9.35
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2)NC(=O)C

DOS

IR

Vibrations