Geometry & MOs

Info

ID:	196269
PubChem CID:	78804376
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-124.91
Dipole, Da:	5.51
IP(EA), eV:	-9.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 4-(acetamidomethyl)benzoate

Drug info:

PubChemData

Smile

C1CCOC(C1)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations