Geometry & MOs

Info

ID:	80216
PubChem CID:	49833611
Reduced:	FON6H19C23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	444.102289
ΔH_f, kcal/mol:	33.55
Dipole, Da:	3.45
IP(EA), eV:	-8.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)F)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CN=C(C=C5)NC

DOS

IR

Vibrations