Geometry & MOs

Info

ID:	33359
PubChem CID:	7886073
Reduced:	SO3N4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	5.27
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations