Geometry & MOs

Info

ID:	38378
PubChem CID:	8034053
Reduced:	FO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	5.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100173
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations