Geometry & MOs

Info

ID:	206563
PubChem CID:	80267927
Reduced:	FNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-210.73
Dipole, Da:	8.21
IP(EA), eV:	-10.08(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-ethyl-N-(pyridin-2-ylmethyl)butane-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2C[C@@H](C[C@@H]2C(=O)O)O)F

DOS

IR

Vibrations