Geometry & MOs

Info

ID:	135889
PubChem CID:	51952752
Reduced:	SO2N3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	401.213698
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	2.46
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@H](C)CNC(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations