Geometry & MOs

Info

ID:	33460
PubChem CID:	7886608
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	358.08097
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	1.16
IP(EA), eV:	-9.51(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[2-(4-methoxyphenoxy)ethylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations