Geometry & MOs

Info

ID:	164978
PubChem CID:	74480366
Reduced:	SN3O6C23H40 (1)
Stoich.:	AB3C6D23E40 (1)
Weight, g/mol:	523.244426
ΔH_f, kcal/mol:	-312.42
Dipole, Da:	8.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766751
Charge, e:	-1

Chem-info

IUPAC name:

6-[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]butanoylamino]hexanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC1CCC(CC1)C(=O)NC(CCSC)C(=O)[O-])NC(=O)OC(C)(C)C

DOS

IR

Vibrations