Geometry & MOs

Info

ID:	334791
PubChem CID:	127253466
Reduced:	ClN5O7C27H28 (1)
Stoich.:	AB5C7D27E28 (1)
Weight, g/mol:	442.189257
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	4.61
IP(EA), eV:	-8.53(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylindol-3-yl)ethyl]-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C/C(=C/5\NN(N=N5)C(C)C)/C=C(C4=O)OC

DOS

IR

Vibrations