Geometry & MOs

Info

ID:	60599
PubChem CID:	26697253
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	4.77
IP(EA), eV:	-8.54(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations