Geometry & MOs

Info

ID:	68392
PubChem CID:	46508327
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	6.32
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=NC(=CS3)CC(=O)N

DOS

IR

Vibrations