Geometry & MOs

Info

ID:	14772
PubChem CID:	420229
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	16.57
Dipole, Da:	3.94
IP(EA), eV:	-8.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-adamantyl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N=C(NN=CC4=C(C=CC5=CC=CC=C54)O)S

DOS

IR

Vibrations