Geometry & MOs

Info

ID:	20637
PubChem CID:	584952
Reduced:	SN3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	225.129969
ΔH_f, kcal/mol:	3.73
Dipole, Da:	1.36
IP(EA), eV:	-9.28(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-adamantyl)-N-aminocarbamimidothioic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N=C(NN)S

DOS

IR

Vibrations