Geometry & MOs

Info

ID:	33311
PubChem CID:	7885898
Reduced:	S2N3O3C17H23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	383.093977
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	5.04
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCCCOC)CC=C)C

DOS

IR

Vibrations