Geometry & MOs

Info

ID:	127819
PubChem CID:	51017598
Reduced:	NSO6H21C23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	467.2128
ΔH_f, kcal/mol:	-140.68
Dipole, Da:	5.67
IP(EA), eV:	-9.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,7S,8S)-7-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-5-methylidene-3,10,11-trioxatricyclo[6.2.1.02,6]undecan-6-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C[C@H]3C(=C([C@H]2N3C(=O)OC)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations