Geometry & MOs

Info

ID:	383556
PubChem CID:	134975343
Reduced:	O8H44C47 (1)
Stoich.:	A8B44C47 (1)
Weight, g/mol:	74.015925
ΔH_f, kcal/mol:	-171.3
Dipole, Da:	1.21
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dideuterio-3-methylidenethiirane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCC2=CC(=C(O2)[C@H]3C[C@@H]([C@@H]3CCOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C(=O)OC

DOS

IR

Vibrations