Geometry & MOs

Info

ID:	381316
PubChem CID:	134972012
Reduced:	OPN2H25C27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	250.102751
ΔH_f, kcal/mol:	61.23
Dipole, Da:	8.37
IP(EA), eV:	-8.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-4,5-dimethyl-3-phenylmethoxythian-2-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CN=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations