Geometry & MOs

Info

ID:	307453
PubChem CID:	125299973
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	5.06
IP(EA), eV:	-8.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(2H-indol-3-yl)propan-2-yl]-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN[C@@H]2C=NC(=O)NC2=O)OC

DOS

IR

Vibrations