Geometry & MOs

Info

ID:	352570
PubChem CID:	127283658
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	7.07
IP(EA), eV:	-8.88(-0.27)
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]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)N2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations