Geometry & MOs

Info

ID:	392024
PubChem CID:	135012023
Reduced:	SN5O8C41H53 (1)
Stoich.:	AB5C8D41E53 (1)
Weight, g/mol:	250.074228
ΔH_f, kcal/mol:	-306.72
Dipole, Da:	3.26
IP(EA), eV:	-9.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=NCC(N2C(=O)OCC3=CC=CC=C3)CCCCCCCC(=O)N[C@@H](C)C(=O)NC(C(C)C)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations