Geometry & MOs

Info

ID:	192309
PubChem CID:	78255047
Reduced:	S2O3N4H24C26 (1)
Stoich.:	A2B3C4D24E26 (1)
Weight, g/mol:	459.10452
ΔH_f, kcal/mol:	5.58
Dipole, Da:	3.09
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=C2C(=O)N(C4N3C(=NN4)SCC5=CC6=C(C=C5)OCO6)C7=CC=CC=C7

DOS

IR

Vibrations