Geometry & MOs

Info

ID:	63277
PubChem CID:	26750447
Reduced:	NF2O6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-293.08
Dipole, Da:	3.33
IP(EA), eV:	-8.5(-0.8)
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-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations