Geometry & MOs

Info

ID:	27145
PubChem CID:	815631
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-6.31
Dipole, Da:	3.06
IP(EA), eV:	-8.55(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N2CCS[C@H]2C3=CC=CN3C

DOS

IR

Vibrations