Geometry & MOs

Info

ID:	63027
PubChem CID:	26738106
Reduced:	SN4O4H16C21 (1)
Stoich.:	AB4C4D16E21 (1)
Weight, g/mol:	430.111104
ΔH_f, kcal/mol:	-43.98
Dipole, Da:	3.17
IP(EA), eV:	-8.96(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-1H-indole-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)NNC(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O

DOS

IR

Vibrations