Geometry & MOs

Info

ID:	192038
PubChem CID:	78217945
Reduced:	SN3O5C29H37 (1)
Stoich.:	AB3C5D29E37 (1)
Weight, g/mol:	434.97108
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	4.63
IP(EA), eV:	-8.22(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=S)N(CC2CC3CC4C(CC3NC2=O)OCCO4)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations