Geometry & MOs

Info

ID:	169238
PubChem CID:	75077849
Reduced:	ClSO2N3C22H26 (1)
Stoich.:	ABC2D3E22F26 (1)
Weight, g/mol:	431.143426
ΔH_f, kcal/mol:	-14.28
Dipole, Da:	8.75
IP(EA), eV:	-9.22(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[amino(1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexyl]oxy-7-chloro-7H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C)C1(CCC(CC1)OC2=CC3=CC=NC(=O)C3=CC2Cl)C(C4=NC=CS4)N

DOS

IR

Vibrations