Geometry & MOs

Info

ID:	403962
PubChem CID:	135063455
Reduced:	O2F3H21C30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	-82.91
Dipole, Da:	4.11
IP(EA), eV:	-9.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-2-(dimethylcarbamoyl)-1-(4-methoxyphenyl)-3-oxobutyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(/C=C(/C#CC2=CC=CC=C2C(F)(F)F)\OC3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations