Geometry & MOs

Info

ID:	235791
PubChem CID:	92710647
Reduced:	SN4O4C26H32 (1)
Stoich.:	AB4C4D26E32 (1)
Weight, g/mol:	489.240976
ΔH_f, kcal/mol:	-139.89
Dipole, Da:	2.09
IP(EA), eV:	-8.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N([C@@H](C2)C(=O)NCCC3=CNC4=C3C=C(C=C4)C)C(=O)C

DOS

IR

Vibrations