Geometry & MOs

Info

ID:	243293
PubChem CID:	99218213
Reduced:	FSN4O5C23H23 (1)
Stoich.:	ABC4D5E23F23 (1)
Weight, g/mol:	353.175771
ΔH_f, kcal/mol:	-164.65
Dipole, Da:	6.25
IP(EA), eV:	-8.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C=C1)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations