Geometry & MOs

Info

ID:	164975
PubChem CID:	74480363
Reduced:	N2O7C24H27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	495.213126
ΔH_f, kcal/mol:	-230.69
Dipole, Da:	10.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771502
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]hexanoylamino]acetate

Drug info:

PubChemData

Smile

CCC(C(=O)NCCCC(=O)[O-])NC(=O)CC1=C(C2=C(C=C3C(=C2)C(=C(O3)C)C)OC1=O)C

DOS

IR

Vibrations