Geometry & MOs

Info

ID:	37022
PubChem CID:	8016218
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	384.144712
ΔH_f, kcal/mol:	-177.3
Dipole, Da:	8.1
IP(EA), eV:	-9.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NCC3=CN=CC=C3)O)C

DOS

IR

Vibrations