Geometry & MOs

Info

ID:	180200
PubChem CID:	76595726
Reduced:	PtF6N6H22C37 (1)
Stoich.:	AB6C6D22E37 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	119.37
Dipole, Da:	2.67
IP(EA), eV:	-9.54(-4.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)but-3-ynyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N([C-]=N2)C3=CC=CC(=N3)C(C4=CC=CC=C4)C5=NC(=CC=C5)N6[C-]=NC(=C6C(F)(F)F)C7=CC=CC=C7)C(F)(F)F.[Pt+2]

DOS

IR

Vibrations