Geometry & MOs

Info

ID:	164974
PubChem CID:	74480362
Reduced:	N4O6C24H31 (1)
Stoich.:	A4B6C24D31 (1)
Weight, g/mol:	455.181826
ΔH_f, kcal/mol:	-226.04
Dipole, Da:	9.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756841
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-[[2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoylamino]butanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)[O-])NC(=O)C1CCC(CC1)CNC(=O)CN2C(=O)C3C=CC=CC3=NC2=O

DOS

IR

Vibrations