Geometry & MOs

Info

ID:	38372
PubChem CID:	8033892
Reduced:	O3N5H19C23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	56.81
Dipole, Da:	7.66
IP(EA), eV:	-9.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(1R,2S,6R,8S)-5-(4-methoxyphenyl)-3,9,11-trioxa-4-azatricyclo[6.2.1.02,6]undec-4-en-7-ylidene]amino]ethanethioamide

Drug info:

PubChemData

Smile

COC1([C@]2([C@]([C@@]23C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)(C(=N1)N)C#N)C#N)OC

DOS

IR

Vibrations