Geometry & MOs

Info

ID:	435575
PubChem CID:	135191851
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-61.19
Dipole, Da:	3.62
IP(EA), eV:	-9.29(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3E,6R)-3-[(Z)-but-2-enylidene]-2-methylidene-5-oxo-1,4-thiazepan-6-yl]carbamate

Drug info:

PubChemData

Smile

CN(CCCCC=C)C(=O)C1CCCC1

DOS

IR

Vibrations