Geometry & MOs

Info

ID:	189896
PubChem CID:	77921549
Reduced:	SO4N5C32H37 (1)
Stoich.:	AB4C5D32E37 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	4.25
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-amino-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione

Drug info:

PubChemData

Smile

CN1CC(=O)N2CC(CC2CSC3=CC=CC(=C3)C(=O)N(C(CCC1=O)C(=O)NCC4=CC5=CC=CC=C5C=C4)C)N

DOS

IR

Vibrations