Geometry & MOs

Info

ID:	192211
PubChem CID:	78245588
Reduced:	N3O4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	370.129062
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	2.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771158
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O)C(=O)[O-]

DOS

IR

Vibrations