Geometry & MOs

Info

ID:	37037
PubChem CID:	8016319
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	9.97
IP(EA), eV:	-9.32(-0.91)
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]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC3=CN=CC=C3)C)C(=C1)OCC(=C)C

DOS

IR

Vibrations