Geometry & MOs

Info

ID:	367032
PubChem CID:	127322964
Reduced:	N2O2C9H15 (2)
Stoich.:	A2B2C9D15 (2)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-199.48
Dipole, Da:	2.36
IP(EA), eV:	-9.38(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(1-propoxyisoquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCCN1C(=O)C)N(C)C(=O)C2CCCN2C(=O)C

DOS

IR

Vibrations