Geometry & MOs

Info

ID:	315094
PubChem CID:	126624419
Reduced:	SN2O3C39H72 (1)
Stoich.:	AB2C3D39E72 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-221.34
Dipole, Da:	3.66
IP(EA), eV:	-8.96(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[5-(1-benzyl-2-methylpyrrole-3-carbonyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]-3-hydroxybutanamide

Drug info:

PubChemData

Smile

CCCCCC/C=C\C/C=C\CCCCCCCN(CCCCCCCC(=O)OC/C=C\CCCCCC)C(=O)SCCNC

DOS

IR

Vibrations