Geometry & MOs

Info

ID:	398194
PubChem CID:	135032264
Reduced:	N2O6H20C23 (1)
Stoich.:	A2B6C20D23 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-186.58
Dipole, Da:	5.57
IP(EA), eV:	-10.23(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzenecarbonothioyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC(CCCN1C(=O)C2=CC=CC=C2C1=O)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations