Geometry & MOs

Info

ID:	20783
PubChem CID:	585670
Reduced:	SN4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	314.156518
ΔH_f, kcal/mol:	56.62
Dipole, Da:	5.34
IP(EA), eV:	-9.09(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-adamantyl)-N-(pyridin-4-ylmethylideneamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N=C(NN=CC4=CC=NC=C4)S

DOS

IR

Vibrations