Geometry & MOs

Info

ID:	305702
PubChem CID:	124966023
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	7.33
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4R)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxyazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCN([C@H](C2)C(=O)N)CC3=CC=CC=C3

DOS

IR

Vibrations