Geometry & MOs

Info

ID:	194130
PubChem CID:	78488367
Reduced:	SN3O5C18H30 (1)
Stoich.:	AB3C5D18E30 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-183.92
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753392
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC[NH+]1CCOCC1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

DOS

IR

Vibrations