Geometry & MOs

Info

ID:	425365
PubChem CID:	135126066
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	450.111517
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	3.24
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(4aR,5S,7aS)-2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

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CNC(=O)[C@H](CC1=CNC2=C1C=C(C=C2)O)N

DOS

IR

Vibrations