Geometry & MOs

Info

ID:	146161
PubChem CID:	53645386
Reduced:	O3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	543.123084
ΔH_f, kcal/mol:	-172.1
Dipole, Da:	3.86
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-N-[amino(phenyl)methylidene]-4-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CO)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC

DOS

IR

Vibrations