Geometry & MOs

Info

ID:	356325
PubChem CID:	127291398
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	3.09
IP(EA), eV:	-8.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carbonyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)NC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations