Geometry & MOs

Info

ID:	221958
PubChem CID:	85292977
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	413.16608
ΔH_f, kcal/mol:	-187.35
Dipole, Da:	6.07
IP(EA), eV:	-9.11(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-methyl-1-[5-oxo-4-(phenylsulfanylmethyl)oxolan-2-yl]propyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)(C2C(=O)OC3(C4CC(C4(C)C)CC3=N2)C)O

DOS

IR

Vibrations