Geometry & MOs

Info

ID:	20677
PubChem CID:	585136
Reduced:	SN4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	328.172168
ΔH_f, kcal/mol:	47.35
Dipole, Da:	4.58
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-adamantyl)-N-(1-pyridin-3-ylethylideneamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=NNC(=NC12CC3CC(C1)CC(C3)C2)S)C4=CN=CC=C4

DOS

IR

Vibrations