Geometry & MOs

Info

ID:	307589
PubChem CID:	125307624
Reduced:	SN2O4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	4.3
IP(EA), eV:	-8.48(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[(3S)-6-methoxy-3H-indol-3-yl]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(=O)N=N3)[C@H](CC(=O)OC)C4=CSC=C4)C

DOS

IR

Vibrations