Geometry & MOs

Info

ID:	176577
PubChem CID:	76067935
Reduced:	S4O5N7C18H19 (1)
Stoich.:	A4B5C7D18E19 (1)
Weight, g/mol:	416.183503
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	4.49
IP(EA), eV:	-8.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,7-diacetyloxy-11a-methyl-2,3,3a,3b,4,9b,10,11-octahydro-1H-indeno[4,5-c]chromen-2-yl) acetate

Drug info:

PubChemData

Smile

CCC1=C(N=NS1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O

DOS

IR

Vibrations