Geometry & MOs

Info

ID:	135460
PubChem CID:	51873795
Reduced:	Cl2O2N3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	438.138006
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	4.77
IP(EA), eV:	-9.73(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations