Geometry & MOs

Info

ID:	280660
PubChem CID:	103850553
Reduced:	SN2O4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	333.155178
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	1.85
IP(EA), eV:	-9.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]carbamate

Drug info:

PubChemData

Smile

CCC(C#N)S(=O)(=O)NCC1(CCOC1)O

DOS

IR

Vibrations