Geometry & MOs

Info

ID:	345880
PubChem CID:	127270180
Reduced:	O2S2N3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	5.15
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CSCC3=CN=CC=C3

DOS

IR

Vibrations