Geometry & MOs

Info

ID:	356369
PubChem CID:	127291442
Reduced:	SO2N3C16H29 (1)
Stoich.:	AB2C3D16E29 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-117.97
Dipole, Da:	1.56
IP(EA), eV:	-8.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2CSCN2C(=O)C(C)(C)C

DOS

IR

Vibrations