Geometry & MOs

Info

ID:	61102
PubChem CID:	26705711
Reduced:	FN4O5C23H23 (1)
Stoich.:	AB4C5D23E23 (1)
Weight, g/mol:	497.198442
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	5.73
IP(EA), eV:	-8.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)O[C@H](C)C(=O)NNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

DOS

IR

Vibrations