Geometry & MOs

Info

ID:	46605
PubChem CID:	10525527
Reduced:	OSN2H20C26 (1)
Stoich.:	ABC2D20E26 (1)
Weight, g/mol:	408.262422
ΔH_f, kcal/mol:	76.18
Dipole, Da:	4.59
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2E)-2-[(7aR)-3-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene]acetyl]-3-hydroxytetradecanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(CC(=S)NC4=CC=CC=C43)C(=C2)C5=CC=CC=C5

DOS

IR

Vibrations