Geometry & MOs

Info

ID:	37003
PubChem CID:	8016053
Reduced:	O5H14C19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-108.03
Dipole, Da:	9.01
IP(EA), eV:	-8.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=COC3=C2C=C4C=CC(=O)OC4=C3)OC

DOS

IR

Vibrations