Geometry & MOs

Info

ID:	444345
PubChem CID:	135262130
Reduced:	FSO3N8C25H27 (1)
Stoich.:	ABC3D8E25F27 (1)
Weight, g/mol:	495.00013
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	6.58
IP(EA), eV:	-9.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodo-3-methyl-7-phenylmethoxy-1-benzothiophen-5-yl) N-[[(2R)-oxiran-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)C(=O)NCCCN5CCS(=O)(=O)CC5)F

DOS

IR

Vibrations