Geometry & MOs

Info

ID:	145024
PubChem CID:	53449874
Reduced:	SN2O5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	382.129062
ΔH_f, kcal/mol:	-198.68
Dipole, Da:	6.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755045
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)[O-]

DOS

IR

Vibrations