Geometry & MOs

Info

ID:	164249
PubChem CID:	74382557
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	807.1995
ΔH_f, kcal/mol:	-127.76
Dipole, Da:	5.83
IP(EA), eV:	-8.56(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[3-(2-chlorophenoxy)-5-[(4-fluorophenyl)methylamino]-4-hydroxycyclohexene-1-carbonyl]amino]ethoxycarbonylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(C)COC(=O)C1=C(C=C(C=C1)N)OCC

DOS

IR

Vibrations