Geometry & MOs

Info

ID:	222621
PubChem CID:	85305634
Reduced:	S2N4O5C14H14 (1)
Stoich.:	A2B4C5D14E14 (1)
Weight, g/mol:	382.178024
ΔH_f, kcal/mol:	-118.14
Dipole, Da:	7.75
IP(EA), eV:	-10.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 3-(hydroxymethyl)-4-methylcyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)NC2C(=O)NS(=O)(=O)N2CC3=NC=CS3

DOS

IR

Vibrations