Geometry & MOs

Info

ID:	148300
PubChem CID:	53787962
Reduced:	NO10C35H47 (1)
Stoich.:	AB10C35D47 (1)
Weight, g/mol:	450.097289
ΔH_f, kcal/mol:	-396.88
Dipole, Da:	3.88
IP(EA), eV:	-9.49(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dinaphthalen-1-yl 2,3-dicyanobutanediimidothioate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1CCC(=NOCC2COCOC2)C3=C1C(C(C(=O)C3)C)CCC(=O)CC(CC(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations