Geometry & MOs

Info

ID:	381801
PubChem CID:	134972631
Reduced:	NSO2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	457.246438
ΔH_f, kcal/mol:	-79.58
Dipole, Da:	3.7
IP(EA), eV:	-8.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6E,8E,10E,13S,14S,15R,16Z)-13,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1O)C)SCC(=O)N2

DOS

IR

Vibrations