Geometry & MOs

Info

ID:	356370
PubChem CID:	127291443
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-23.73
Dipole, Da:	5.59
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations