Geometry & MOs

Info

ID:	217981
PubChem CID:	85088687
Reduced:	SN3O5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	417.172879
ΔH_f, kcal/mol:	-91.79
Dipole, Da:	9.22
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzhydrylidene-9-cyano-3b,9a-dihydro-3aH-cyclopenta[a]azulene-9-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations