Geometry & MOs

Info

ID:	299908
PubChem CID:	117930472
Reduced:	ClO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	541.342624
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	0.89
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-amino-4-[(2S,3R,4S,5S,6R)-4,5-dibutoxy-6-(butoxymethyl)-3-(methoxymethoxy)oxan-2-yl]-4,4-difluorobutanoate

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)C(C5)C4)OCCN

DOS

IR

Vibrations