Geometry & MOs

Info

ID:	37030
PubChem CID:	8016284
Reduced:	O4N5C20H26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	6.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764055
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)[O-])NC(=O)N1CCN2C1=NC3=CC=CC=C32

DOS

IR

Vibrations