Geometry & MOs

Info

ID:	278216
PubChem CID:	103834153
Reduced:	FNSO5C12H14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	299.128821
ΔH_f, kcal/mol:	-226.77
Dipole, Da:	2.99
IP(EA), eV:	-9.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)S(=O)(=O)N2CC[C@@H](C2)O

DOS

IR

Vibrations