Geometry & MOs

Info

ID:	334960
PubChem CID:	127253766
Reduced:	ClN3O7H22C25 (1)
Stoich.:	AB3C7D22E25 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-167.76
Dipole, Da:	2.94
IP(EA), eV:	-8.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]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=C(O5)C)/C(=O)C=C4

DOS

IR

Vibrations