Geometry & MOs

Info

ID:	57269
PubChem CID:	22395564
Reduced:	NSO3C4H10 (1)
Stoich.:	ABC3D4E10 (1)
Weight, g/mol:	437.256609
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	7.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762564
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[[4-[1-methoxy-1-(methoxymethyl)-11a-methyl-2,3,3a,3b,4,5,8,9,10,11-decahydroindeno[5,4-f]isochromen-10-yl]phenyl]methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)[O-]

DOS

IR

Vibrations