Geometry & MOs

Info

ID:	30135
PubChem CID:	840228
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-5.3
Dipole, Da:	4.16
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,9S,13R)-9,10-dimethyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations