Geometry & MOs

Info

ID:	162384
PubChem CID:	57394510
Reduced:	N2O4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	348.069927
ΔH_f, kcal/mol:	-184.84
Dipole, Da:	4.55
IP(EA), eV:	-8.65(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O

DOS

IR

Vibrations