Geometry & MOs

Info

ID:	37941
PubChem CID:	8025710
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	410.093643
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	3.57
IP(EA), eV:	-8.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2C(=CSC2=NC3=CC=CC=C3)C4=CC(=C(C=C4)O)C(=O)N

DOS

IR

Vibrations