Geometry & MOs

Info

ID:	356255
PubChem CID:	127291328
Reduced:	S2N3O4C15H27 (1)
Stoich.:	A2B3C4D15E27 (1)
Weight, g/mol:	355.192963
ΔH_f, kcal/mol:	-190.18
Dipole, Da:	8.29
IP(EA), eV:	-9.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[4-(2-methoxyethyl)-1,4-diazepane-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)NCCN2CCS(=O)(=O)CC2

DOS

IR

Vibrations