Geometry & MOs

Info

ID:	402120
PubChem CID:	135054485
Reduced:	NSO3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	5.56
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C(=C[C@H](OC3(C)C)C4=CC=CC=C4)C2

DOS

IR

Vibrations