Geometry & MOs

Info

ID:	245644
PubChem CID:	99455750
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	416.224597
ΔH_f, kcal/mol:	-207.25
Dipole, Da:	7.09
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)NC[C@@H](C)N2C[C@H](O[C@@H](C2)C)C)CC

DOS

IR

Vibrations