Geometry & MOs

Info

ID:	37031
PubChem CID:	8016289
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-245.01
Dipole, Da:	5.16
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)O)NC(=O)CC1=C(C2=C(C=C(C3=C2OC=C3C)C)OC1=O)C

DOS

IR

Vibrations