Geometry & MOs

Info

ID:	305905
PubChem CID:	124973976
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	49.67
Dipole, Da:	2.44
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-(5-methylfuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@H]2CCCN2C(=O)C3=CC=CS3)C4=NC=CN4C

DOS

IR

Vibrations