Geometry & MOs

Info

ID:	144039
PubChem CID:	53304275
Reduced:	N3O8C26H31 (1)
Stoich.:	A3B8C26D31 (1)
Weight, g/mol:	410.132965
ΔH_f, kcal/mol:	-235.2
Dipole, Da:	5.65
IP(EA), eV:	-8.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 4-(2,4-difluorophenyl)benzoate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](C[N+](=O)[O-])[C@]1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations