Geometry & MOs

Info

ID:	297558
PubChem CID:	117621546
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	5.25
IP(EA), eV:	-8.81(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,6R)-6-[1-[(4-ethylphenyl)methyl]indol-3-yl]-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C2=C3C4=CC=CC=C4N=C3C(=O)N(N2)CC(=O)N5CCOCC5

DOS

IR

Vibrations