Geometry & MOs

Info

ID:	227902
PubChem CID:	87562938
Reduced:	S2N4O4H10C13 (1)
Stoich.:	A2B4C4D10E13 (1)
Weight, g/mol:	506.231791
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	4.2
IP(EA), eV:	-9.7(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(dimethylamino)-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]isoquinoline-8-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CN=CC(=C1)C2=NC3=C(C=C2)N=C(S3)NC(=O)O

DOS

IR

Vibrations