Geometry & MOs

Info

ID:	63231
PubChem CID:	26750228
Reduced:	SN2O6C19H24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	462.02489
ΔH_f, kcal/mol:	-198.05
Dipole, Da:	10.32
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)OC

DOS

IR

Vibrations