Geometry & MOs

Info

ID:	60601
PubChem CID:	26697257
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	6.41
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3C[C@H](O[C@@H](C3)C)C

DOS

IR

Vibrations