Geometry & MOs

Info

ID:	371570
PubChem CID:	127347191
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	5.71
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations