Geometry & MOs

Info

ID:	322399
PubChem CID:	126669993
Reduced:	SCl2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	514.263171
ΔH_f, kcal/mol:	35.33
Dipole, Da:	5.5
IP(EA), eV:	-8.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[3-fluoro-5-[3-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]isoquinolin-1-yl]phenyl]propanoate

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)CN(C)C2=C(C=CC(=C2)Cl)SCl

DOS

IR

Vibrations