Geometry & MOs

Info

ID:	179481
PubChem CID:	76488864
Reduced:	NPS3O5C10H14 (1)
Stoich.:	ABC3D5E10F14 (1)
Weight, g/mol:	413.350509
ΔH_f, kcal/mol:	-250.94
Dipole, Da:	5.64
IP(EA), eV:	-9.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-yl N-[2-(hydroxymethyl)heptadecyl]carbamate

Drug info:

PubChemData

Smile

COP(=S)(OC)SCC1=C(N2C(CC2=O)SC1)C(=O)O

DOS

IR

Vibrations