Geometry & MOs

Info

ID:	164981
PubChem CID:	74480369
Reduced:	O3N4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	517.197476
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756777
Charge, e:	-1

Chem-info

IUPAC name:

3-methyl-2-[[2-phenyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]butanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)[O-])NC(=O)N1CCN2C1=NC3=CC=CC=C32

DOS

IR

Vibrations