Geometry & MOs

Info

ID:	193227
PubChem CID:	78359052
Reduced:	SN3O4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	618.23045
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	4.74
IP(EA), eV:	-8.96(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-1-(4-hexoxy-3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)OC5=CC=CC=C5)C6=NN=C(S6)C

DOS

IR

Vibrations