Geometry & MOs

Info

ID:	308181
PubChem CID:	125317228
Reduced:	N2O5H26C27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	458.184172
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	6.0
IP(EA), eV:	-8.8(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S)-6-methoxy-3H-indol-3-yl]ethyl]-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCC[C@H]4C=NC5=C4C=CC(=C5)OC)C)C

DOS

IR

Vibrations