Geometry & MOs

Info

ID:	140297
PubChem CID:	52679038
Reduced:	SN5O5C19H21 (1)
Stoich.:	AB5C5D19E21 (1)
Weight, g/mol:	430.123025
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	7.21
IP(EA), eV:	-8.73(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNN2C1=NC(=CC2=O)CN3[C@@H](CC4=C3C=CC(=C4)S(=O)(=O)N)C

DOS

IR

Vibrations