Geometry & MOs

Info

ID:	37019
PubChem CID:	8016188
Reduced:	NO5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	412.176013
ΔH_f, kcal/mol:	-208.95
Dipole, Da:	5.03
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-4-methyl-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC=C(C)C)CCC(=O)NCCCO

DOS

IR

Vibrations