Geometry & MOs

Info

ID:	13995
PubChem CID:	401359
Reduced:	ClNSO2C24H24 (1)
Stoich.:	ABCD2E24F24 (1)
Weight, g/mol:	425.121628
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	5.12
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(1-adamantyl) N-(4-chlorobenzoyl)-N-phenylcarbamothioate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations