Geometry & MOs

Info

ID:	193241
PubChem CID:	78362062
Reduced:	SN2O5C31H40 (1)
Stoich.:	AB2C5D31E40 (1)
Weight, g/mol:	514.1904
ΔH_f, kcal/mol:	-167.15
Dipole, Da:	4.88
IP(EA), eV:	-8.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2C4=NC(=C(S4)C)C)OC5CC(C(CC5C3=O)C)C)OC

DOS

IR

Vibrations