Geometry & MOs

Info

ID:	356336
PubChem CID:	127291409
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	2.1
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations