Geometry & MOs

Info

ID:	360198
PubChem CID:	127300841
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	22.13
Dipole, Da:	4.41
IP(EA), eV:	-9.09(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC4=C(N=C3)ON=C4C(C)C

DOS

IR

Vibrations