Geometry & MOs

Info

ID:	134335
PubChem CID:	51682669
Reduced:	ClNO2C34H50 (1)
Stoich.:	ABC2D34E50 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	2.47
IP(EA), eV:	-8.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-ethylmorpholin-4-yl]sulfonylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NC5=CC=C(C=C5)Cl)C)C

DOS

IR

Vibrations