Geometry & MOs

Info

ID:	37004
PubChem CID:	8016056
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-240.88
Dipole, Da:	12.33
IP(EA), eV:	-9.37(-1.33)
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]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations