Geometry & MOs

Info

ID:	62701
PubChem CID:	26736255
Reduced:	SO4N6H16C17 (1)
Stoich.:	AB4C6D16E17 (1)
Weight, g/mol:	447.107519
ΔH_f, kcal/mol:	35.68
Dipole, Da:	3.55
IP(EA), eV:	-8.77(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

DOS

IR

Vibrations