Geometry & MOs

Info

ID:	356373
PubChem CID:	127291446
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-28.48
Dipole, Da:	3.46
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)C2CSCN2C(=O)C3CCC3)C4=NN=CC=C4

DOS

IR

Vibrations