Geometry & MOs

Info

ID:	356341
PubChem CID:	127291414
Reduced:	N2S2O4C13H22 (1)
Stoich.:	A2B2C4D13E22 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-180.46
Dipole, Da:	4.7
IP(EA), eV:	-9.42(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carbonyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations