Geometry & MOs

Info

ID:	27144
PubChem CID:	815630
Reduced:	OSN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	17.62
Dipole, Da:	6.17
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

DOS

IR

Vibrations