Geometry & MOs

Info

ID:	135888
PubChem CID:	51952751
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	401.213698
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	6.51
IP(EA), eV:	-9.12(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-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](C(C)C)NC(=O)CN1CC2=CC=CC=C2C[C@@H]1C(=O)N3CCCC3

DOS

IR

Vibrations