Geometry & MOs

Info

ID:	122781
PubChem CID:	50821145
Reduced:	FS2N3O5C21H22 (1)
Stoich.:	AB2C3D5E21F22 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-155.07
Dipole, Da:	5.26
IP(EA), eV:	-9.56(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1S(=O)(=O)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations