Geometry & MOs

Info

ID:	20730
PubChem CID:	585414
Reduced:	OSN2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	330.176585
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	3.84
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyloxy)ethyl]-N-phenylcarbamimidothioic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)OCCN=C(NC4=CC=CC=C4)S

DOS

IR

Vibrations