Geometry & MOs

Info

ID:	20586
PubChem CID:	584702
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	6.76
Dipole, Da:	5.95
IP(EA), eV:	-8.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-adamantyl)-N-[(4-methoxyphenyl)methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NNC(=NC23CC4CC(C2)CC(C4)C3)S

DOS

IR

Vibrations