Geometry & MOs

Info

ID:

63638

PubChem CID:

26758841

Reduced:

ClNO6C21H22 (1)

Stoich.:

ABC6D21E22 (1)

Weight, g/mol:

440.140593

ΔHf, kcal/mol:

-209.81

Dipole, Da:

4.62

IP(EA), eV:

 -8.62(-1.11)

Spin(Sz, 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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations