Geometry & MOs

Info

ID:	404086
PubChem CID:	135064945
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	365.163851
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	4.15
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-1-(3-fluorophenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]([C@H]2C=CC(=O)O2)NC3=CC=CC=C3O

DOS

IR

Vibrations