Geometry & MOs

Info

ID:	338806
PubChem CID:	127259817
Reduced:	NSO2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	330.16198
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	2.23
IP(EA), eV:	-9.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diphenylpropyl 2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)OCCC2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations