Geometry & MOs

Info

ID:	390464
PubChem CID:	134999283
Reduced:	ClNOF3H7C14 (1)
Stoich.:	ABCD3E7F14 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-129.47
Dipole, Da:	4.87
IP(EA), eV:	-9.66(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]butyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations