Geometry & MOs

Info

ID:	374093
PubChem CID:	131323608
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	352.93157
ΔH_f, kcal/mol:	-170.73
Dipole, Da:	2.58
IP(EA), eV:	-9.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-8-chloro-7-iodo-2,3-dihydrochromene-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Cl)CBr)OC(F)F

DOS

IR

Vibrations