Geometry & MOs

Info

ID:	192951
PubChem CID:	78327023
Reduced:	S2O3N6C19H25 (1)
Stoich.:	A2B3C6D19E25 (1)
Weight, g/mol:	399.128214
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755449
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)C2C(=[N+](C(=O)N(C2=O)C)CC(C)C)N)C3=CC=CS3

DOS

IR

Vibrations