Geometry & MOs

Info

ID:	281485
PubChem CID:	103913938
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	334.192629
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	4.57
IP(EA), eV:	-8.98(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(1,1-dioxothian-3-yl)amino]-2-methylpropyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(C)C1=NC=CN1C)O

DOS

IR

Vibrations