Geometry & MOs

Info

ID:	60943
PubChem CID:	26703408
Reduced:	O2S2N5H19C22 (1)
Stoich.:	A2B2C5D19E22 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	48.87
Dipole, Da:	9.37
IP(EA), eV:	-8.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-[(1R)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations