Geometry & MOs

Info

ID:	349994
PubChem CID:	127276867
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-33.66
Dipole, Da:	4.57
IP(EA), eV:	-8.94(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2(CCCC2)C#N

DOS

IR

Vibrations