Geometry & MOs

Info

ID:	441094
PubChem CID:	135233090
Reduced:	FSO3H5C7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	687.11093
ΔH_f, kcal/mol:	-120.5
Dipole, Da:	1.82
IP(EA), eV:	-9.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[(3Z,5Z)-4-chloro-1-(cyclobutylamino)-3-methyl-1-oxoocta-3,5-dien-2-yl]-3-(4-cyanopyridin-2-yl)-N-(3-iodophenyl)-2-oxo-1,3-oxazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)OCC(=O)F)C=O

DOS

IR

Vibrations