Geometry & MOs

Info

ID:	168792
PubChem CID:	75020003
Reduced:	N2F3O6C30H33 (1)
Stoich.:	A2B3C6D30E33 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-328.76
Dipole, Da:	2.96
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]sulfonylaniline

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COCCCOC2=CC=C(C=C2)N3C(CNCC3=O)COCC4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations