Geometry & MOs

Info

ID:	411182
PubChem CID:	135083993
Reduced:	P2C23H35 (1)
Stoich.:	A2B23C35 (1)
Weight, g/mol:	103.009185
ΔH_f, kcal/mol:	11.23
Dipole, Da:	2.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903064
Charge, e:	0

Chem-info

IUPAC name:

1,2-thiazolidin-5-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P=P[C]2[CH][CH][CH][CH]2)C(C)(C)C

DOS

IR

Vibrations