Geometry & MOs

Info

ID:	63907
PubChem CID:	26759456
Reduced:	NF2O6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-313.68
Dipole, Da:	3.04
IP(EA), eV:	-8.4(-0.33)
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] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations