Geometry & MOs

Info

ID:	50820
PubChem CID:	12013409
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	475.887066
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	8.63
IP(EA), eV:	-8.96(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloroform;8-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CCN3C2=C(C(=C(C3=O)C#N)C4=CC=C(C=C4)OC)C#N)OCC

DOS

IR

Vibrations