Geometry & MOs

Info

ID:	47099
PubChem CID:	10529563
Reduced:	ClNSO5C26H32 (1)
Stoich.:	ABCD5E26F32 (1)
Weight, g/mol:	505.095997
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	4.01
IP(EA), eV:	-8.19(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzotriazol-1-yl 2-[(3Z)-3-[(2,3-dichlorophenyl)methylidene]-2-ethyl-7-methoxyinden-1-yl]acetate

Drug info:

PubChemData

Smile

CCCC/C=C(\[C@@H]([C@@H](CCCC)Cl)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/[S@@](=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations